hernanchavezthielemann GRO2LAM issues

hernanchavezthielemann / GRO2LAM

Gromacs to Lammps simulation converter

MIT License

64 stars 19 forks source link

issues

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Problem #008 here #split_dihedral_improper

#66 13Ta6i2yo5 opened 2 weeks ago
1
Change travis

#65 hernanchavezthielemann closed 7 months ago
0
WARNING: Problem detected in: SIDE MOLE FILES

#64 meghaparashar2 opened 9 months ago
6
Can't generate Atoms #atomic in data output file for lammps

#63 lje1234 closed 10 months ago
7
Question: receiving error in lammps.py: atoms order mismatch between residue definition and gro file

#62 Bellsthescientist closed 9 months ago
2
Update lammps.py

#61 hernanchavezthielemann closed 1 year ago
0
Update file.py

#60 hernanchavezthielemann closed 1 year ago
0
change angles dihedrals directive request

#59 hernanchavezthielemann closed 1 year ago
0
Gro2LAM: What about gromacs files that have no dihedrals or impropers?

#58 Bellsthescientist opened 1 year ago
1
Convert GROMACS files in Martini force field to LAMMPS

#57 LyMai10 opened 1 year ago
0
not getting correct data.gro2lam file

#55 sanaper-cloud closed 1 year ago
1
Installation with python3

#52 hassanuiuc closed 2 years ago
1
Unhandled case 001

#51 sanaper-cloud closed 2 years ago
3
Compatibility with Python3?

#48 KevinKongWisc closed 2 years ago
1
Black screen on the software interface

#44 xiaojinz closed 2 years ago
4
Can't find convert button

#40 nisargjoshi10 closed 3 years ago
7
Py3 compatibility

#39 hernanchavezthielemann opened 3 years ago
0
Beta beta

#37 hernanchavezthielemann closed 3 years ago
0
Suhas multi res multi mol

#36 hernanchavezthielemann closed 3 years ago
0
Suhas multi res multi mol

#35 hernanchavezthielemann closed 3 years ago
0
huge .gro files handling: >99999 residues

#34 hernanchavezthielemann opened 3 years ago
0
y-scroll bar in atom restraint

#33 hernanchavezthielemann opened 3 years ago
0
Some question about output file

#32 Yichun886 closed 3 years ago
10
Opls include side

#31 hernanchavezthielemann closed 4 years ago
0
issue of GRO2LAM: invalid literal for int() with base 10:

#30 singlebook closed 3 years ago
2
Hernanchavezthielemann patch 1

#29 hernanchavezthielemann closed 4 years ago
0
Update lammps.py

#28 hernanchavezthielemann closed 4 years ago
0
Sal za

#27 hernanchavezthielemann closed 4 years ago
0
Atoms, Bonds, etc missing in the generated data file

#26 l454025801 closed 4 years ago
10
tkinter compatibility

#25 argus1 opened 4 years ago
2
Include file not found

#24 hernanchavezthielemann closed 4 years ago
1
Run section bug

#23 hernanchavezthielemann closed 4 years ago
0
Dihe 4 n 9

#22 hernanchavezthielemann closed 4 years ago
0
gro2lam with gromos 43A1-S3 version

#21 sknippen closed 4 years ago
15
Gro2lam does not support dihedral angles with function types 4 and 9.

#20 ShenWenHuibit closed 4 years ago
17
Beta beta

#19 hernanchavezthielemann closed 5 years ago
0
installation is not successful due to bug in setup file.

#18 sabiharustam closed 5 years ago
1
Opls mol double tag

#17 hernanchavezthielemann closed 5 years ago
0
Read error 030

#16 hernanchavezthielemann closed 5 years ago
0
03apr19

#15 hernanchavezthielemann closed 5 years ago
0
20mar19

#14 hernanchavezthielemann closed 5 years ago
1
T13

#13 hernanchavezthielemann closed 5 years ago
0
T12

#12 hernanchavezthielemann closed 5 years ago
0
Update lammps.py

#11 hernanchavezthielemann closed 5 years ago
0
Update gromacs.py

#10 hernanchavezthielemann closed 5 years ago
0
T1 - compatibility with unknowns

#9 hernanchavezthielemann closed 5 years ago
0
Update gromacs.py

#8 hernanchavezthielemann closed 5 years ago
0
Update lammps.py

#7 hernanchavezthielemann closed 5 years ago
0
get_gro_line fixing

#6 hernanchavezthielemann closed 5 years ago
0
examples

#5 hernanchavezthielemann closed 5 years ago
1