I am trying to follow the REMD from Mark Abraham at http://www.gromacs.org/Documentation/Tutorials/GROMACS_USA_Workshop_and_Conference_2013/An_introduction_to_replica_exchange_simulations%3A_Mark_Abraham%2C_Session_1B
At Stage 2, when I run the grompp command (for dir in sim[0123]; do cd $dir; gmx grompp -f sim -c confout -t equil-state; cd ..; done) I got error message: Program: gmx grompp, version 2019.3 Source file: src/gromacs/fileio/checkpoint.cpp (line 591) Function: lambda []()->auto::operator()()->auto Assertion failed: Condition: list != nullptr || (v != nullptr && vector == nullptr) || (v == nullptr && vector != nullptr) Without list, we should have exactly one of v and vector != NULL The whole log is uploaded at https://github.com/lanselibai/gromacs-20200121/blob/master/Assertion%20failed.log Can I ask how to solve this? Thank you! -- 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.