[gmx-users] energy minimization
mohammad.r0325 at yahoo.com
Wed Aug 19 22:18:09 CEST 2015
I've already converted the amber topology and coordinate files to gromacs format. But when I want tostart running the energy minimization first by using the grompp to generate .tpr file, I get this error:
Program gmx, VERSION 5.0.2Source code file: /build/buildd/gromacs-5.0.2/src/gromacs/gmxpreprocess/toppush.c, line: 1353
Fatal error:Atomtype IP not foundFor more information and tips for troubleshooting, please check the GROMACSwebsite at http://www.gromacs.org/Documentation/Errors
I think that it cannot recognize the atoms. I don't know how to fix it.
Best regards, Mohammad.
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