[gmx-users] Assertion failed for the REMD tutorial

2020-01-21 Thread ZHANG Cheng
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; gm

Re: [gmx-users] Assertion failed for the REMD tutorial

2020-01-22 Thread Alessandra Villa
Hi, On Tue, Jan 21, 2020 at 9:55 PM ZHANG Cheng <272699...@qq.com> wrote: > 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