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SPICA-group
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spica-tools
Tools for coarse-grained molecular dynamics simulations using the SPICA force field
https://spica-group.github.io/spica-tools/
MIT License
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3
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Documentation for spica_top.json / .top to .pdb ?
#31
alphataubio
opened
2 months ago
3
debug error
#30
yskmiyazaki
closed
3 months ago
0
modifiy a few lines in setup_lmp.py
#29
yskmiyazaki
closed
4 months ago
0
Add some options in setup_lmp and remove C codes not suuported.
#28
yskmiyazaki
closed
4 months ago
0
Update several scripts and add a new script for generating topology files
#27
yskmiyazaki
closed
5 months ago
0
Inquiry Regarding the Implementation of Angle Function Type 4 of GROMACS in setup_gmx code
#26
Dropletsimuli
closed
5 months ago
2
ERROR: ILE ATOM ['CB', 'CD', 'CG1', 'CG2'] IS MISSING ON MOLECULE
#25
alphataubio
closed
2 months ago
2
update rst files for documentation
#24
yskmiyazaki
closed
5 months ago
0
update ghpage
#23
yskmiyazaki
closed
5 months ago
0
Broken link to GROMACS patch in README
#22
pajpeter
closed
5 months ago
1
collect small fixes
#21
yskmiyazaki
closed
6 months ago
0
Mod ions
#20
yskmiyazaki
closed
8 months ago
0
Dssp
#19
yamatetsu1102
closed
10 months ago
0
bugfix
#18
yskmiyazaki
closed
1 year ago
0
Mod/dihed
#17
yskmiyazaki
closed
1 year ago
0
Add a new code "gen_lmp_input.py" to generate a basic LAMMPS input file for SPICA
#16
yskmiyazaki
closed
1 year ago
0
add some lines for large resid used in PDB
#15
yskmiyazaki
closed
1 year ago
0
Load "dihedral" and "improper" directives in top files and format DATA.FILE
#14
yskmiyazaki
closed
1 year ago
0
Change "cmp_wc" function and add small changes for pSPICA
#13
yskmiyazaki
closed
1 year ago
0
modify output of angle
#12
yamatetsu1102
closed
1 year ago
0
modify angle for protein
#11
yamatetsu1102
closed
1 year ago
0
add terminal types for pspica option
#10
yskmiyazaki
closed
1 year ago
0
modified angle_style
#9
yamatetsu1102
closed
1 year ago
0
angle_style
#8
yamatetsu1102
closed
1 year ago
0
Go model
#7
yamatetsu1102
closed
1 year ago
1
include ischarged val to sysdat class
#6
yskmiyazaki
closed
1 year ago
0
Arrange
#5
yskmiyazaki
closed
1 year ago
0
Setup gmx
#4
yamatetsu1102
closed
1 year ago
0
modified error of setup_lmp.py
#3
yamatetsu1102
closed
2 years ago
0
Mod python3
#2
onefive13
closed
2 years ago
1
convert map and gen to python3 scripts
#1
onefive13
closed
2 years ago
2