RashmiKumari g_mmpbsa issues

RashmiKumari / g_mmpbsa

MM-PBSA method for GROMACS. For full description, please visit homepage:

http://rashmikumari.github.io/g_mmpbsa/

GNU General Public License v3.0

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issues

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python Mmpbsastat.py

#44 Sroy199 opened 9 months ago
0
Segmentation fault (core dumped)

#43 liuxianliang-icrc opened 1 year ago
0
builtins for MmPbSaStat.py

#42 jessii991201 opened 1 year ago
1
translate g_mmpbsa1.1.0 to arm

#41 xiaopangjun666 opened 2 years ago
1
【Help】run error

#40 xiaopangjun666 opened 2 years ago
0
arm transplantion

#39 xiaopangjun666 closed 2 years ago
2
Why is the at_count variable for atom count being compared as

#38 BJWiley233 opened 2 years ago
0
【Help】Installation failure

#37 xiaopangjun666 opened 2 years ago
3
[Question] Is ARM64 a supported architecture?

#36 markjens opened 2 years ago
6
incorporate all CPU cores

#35 biotech70 opened 3 years ago
0
Standard error or precesion in energies is higher than their energies-Reg

#34 28071973 opened 3 years ago
0
g_mmpbsa installation error

#33 anupama-creator opened 3 years ago
1
Running g_mmpbsa in background

#32 icamps opened 3 years ago
2
builtins in line 39 & 40

#31 biochemist84 opened 3 years ago
0
RuntimeWarning: invalid value encountered in subtract while running g_mmpbsa

#30 mittuqw opened 3 years ago
2
g_mmpbsa and gromacs 2020.04

#29 biotech70 opened 3 years ago
9
how to generate topology-parameter (tpr), atom-index (ndx), and trajectory (xtc) files

#28 Ermias2020 opened 3 years ago
0
Update README.md

#27 Sriram192 opened 3 years ago
0
Update to use Gromacs 2020.2 and APBS 3.0

#26 jshleap opened 4 years ago
0
Positive binding energy

#25 nickytenner opened 4 years ago
0
Unspecified input error

#24 AndrewRosato closed 4 years ago
1
Looking for update version for gromacs 2020.1

#23 prodipkroy opened 4 years ago
2
Pls help, can not find the '`configure' shell script to install GMM..?

#22 ashishRTI opened 4 years ago
1
Add support for GROMACS 2016+

#21 tildeslu opened 4 years ago
22
Containerised deployment option

#20 CharlieLaughton opened 4 years ago
0
g_mmpbsa not compatible with gromacs-2019.x

#19 pacho2 opened 5 years ago
5
where is manual of mutate_traj_tpr.py

#18 peixiaoqiong opened 5 years ago
1
mg-type flag ignored

#17 wrmartin opened 5 years ago
2
Library file 'residuetypes.dat' not found

#16 bydineshnath opened 5 years ago
1
apbs installation

#15 lalehan opened 5 years ago
1
can we use topol.top instead of topol.tpr

#14 vijay-vishvakarma opened 6 years ago
0
Can't reproduce the full output of the tutorial

#13 hectormartinezdev closed 6 years ago
4
Is there something wrong in the tutorial files?

#12 ghost opened 6 years ago
1
builtins module

#11 mohammad392 closed 6 years ago
1
Install g_mmpbsa error

#10 yccai closed 6 years ago
2
VdW/Elec for Protein and Ligand is 0 in Vacuum MM energy - in the tutorial

#9 bieniekmateusz closed 6 years ago
2
-pbsa should be switched on by default

#8 bieniekmateusz closed 6 years ago
5
RAM memory problems

#7 bieniekmateusz closed 6 years ago
7
Segmentation fault (core dumped)

#6 AspirinCode closed 6 years ago
2
Problem compiling with gromacs-5.1.2

#5 fifthguy closed 8 years ago
9
energy2bfac: Illegal instruction

#4 adhaimovich closed 8 years ago
0
MmPbSaDecomp indentation (MacOS)

#3 adhaimovich closed 8 years ago
2
error in LIG PB energy"

#2 nehachaudhary769 closed 9 years ago
1
Add a Bitdeli Badge to README

#1 bitdeli-chef closed 11 years ago
0