[gmx-users] problem to restart REMD

leila salimi leilasalimi at gmail.com
Wed Jun 17 22:17:48 CEST 2015


Hi Mark,

Thanks very much. Unfortunately both the state6.cpt, state6_prev,cpt and
state7.cpt and state7_prev.cpt updated and their time are different from
other replicas file (also with *_prev.cpt )!

I am thinking maybe I can use init-step in mdp file, and start from the
time that I have, because all trr files have the same time! I checked with
gmxcheck. But I am not sure that I will get correct results!
Actually I got confused that with the mentioned Note, only two replicas
were running and the state file is changed and the others not!

​regards,
Leila


More information about the gromacs.org_gmx-users mailing list