[gmx-users] energy minimization
mohammad.r0325 at yahoo.com
Wed Aug 19 12:24:33 CEST 2015
I've alreadyconverted the amber topology and coordinate files to gromacs format.But when I want to start running theenergy minimization first by using the grompp to generate .tpr file,I get this error:
Program gmx, VERSION5.0.2Source code file:/build/buildd/gromacs-5.0.2/src/gromacs/gmxpreprocess/toppush.c,line: 1353
Fatal error:Atomtype IP notfoundFor more informationand tips for troubleshooting, please check the GROMACSwebsite athttp://www.gromacs.org/Documentation/Errors
I think that itcannot recognize the atoms. I don't know how to fix it.
Best regards, Mohammad.
More information about the gromacs.org_gmx-users