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RashmiKumari
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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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python Mmpbsastat.py
#44
Sroy199
opened
6 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
1 year ago
1
【Help】run error
#40
xiaopangjun666
opened
1 year ago
0
arm transplantion
#39
xiaopangjun666
closed
1 year ago
2
Why is the at_count variable for atom count being compared as
#38
BJWiley233
opened
1 year ago
0
【Help】Installation failure
#37
xiaopangjun666
opened
1 year ago
3
[Question] Is ARM64 a supported architecture?
#36
markjens
opened
2 years ago
6
incorporate all CPU cores
#35
biotech70
opened
2 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
4 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
5 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
10 years ago
0