Hi,
I plan to run a REMD for a protein in explicit water. The temperature is
300k-500k and there are 40 replicas.
I wander that are only the "ref-t" option in the equi_*.mdp files different
when equilibration stage ? what about gen-temp option. should I make the
gen-temp equal to ref-t (i.e. ref-t=gen-temp=500K)?
Best regards,
Ouyang
--
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 [email protected].
