I am currently using gromacs 2020 for my MD simulation (Protein-Ligand) and i have g_MMPBSA 5.1.x installed. after entering the command, g_mmpbsa -f md_0_10_center.xtc -s md_0_10.tpr -n index.ndx -pdie 2 -decomp
This is what i got
Fatal error:
reading tpx file (md_0_10.tpr) version 119 with version 103 program
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
I understand that the gromacs version is not compatible with the g_MMPBSA version. Please which version of gromacs can i use or is there a higher version of g_MMPBSA that will work with gromacs 2020
I am having the same problem. I tried a lot of things but nothing seems to work!
Hi Olatomide Fadare ,
I have performed g-mmpbsa with gromacs version 4.5.3. and it worked. Try on older version of gromacs, it may help.
Hello Sir Olatomide Fadare
In the manual of g_mmpbsa, it is clearly mention that it supports GROMACS 4.5.x, 4.6.x, GROMACS 5.0.x and GROMACS 5.1.x versions. Please the above mentioned versions of the gromacs.
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