[gmx-users] -rtpo option for pdb2gmx

Robert König olaf2745 at yahoo.de
Sat Mar 24 05:29:32 CET 2018

I try to use a modified OPLSAA forcefield with GROMACS 2018 and I get this error:

Program:     gmx pdb2gmx, version 2018
Source file: src/gromacs/gmxpreprocess/resall.cpp (line 535)

Fatal error:
Found rtp entries for 'ACE' in both 'aminoacids' and
'./oplsaa.ff/ffoplsgas.rtp'. If you want the first definition to override the
second one, set the -rtpo option of pdb2gmx.

For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

What is the -rtpo option of pdb2gmx and how can I use it? I didnt find documentation or discussion for that, where can I get it?


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