Hi all Gromacs Users, I wanted to conduct MD simulations using the newest OPLS-AA force field parameters - OPLS AA/M. I downloaded the folder with parameters from the main website of the developers and put it to the GMX top directory. The new ff is recognised, but while using pdb2gmx to create a topology file for my protein I receive such an error:
" Program: gmx pdb2gmx, version 2018.3 Source file: src/gromacs/gmxpreprocess/toputil.cpp (line 482) Fatal error: tpA = 49549, i= 0 in print_atoms " Has anyone encountered such an error? I found an old post where the concern was if the ff parameters were not modified by the user who asked for help with a similar error prompt. But it surely is not the case for me. I checked that the top file was easily created using the default OPLS-AA (from 2001) in Gromacs 2018.3. Could anyone help me with that? Cheers, Strach -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.