Hi, On Wed., 12 Jun. 2019, 07:47 Prasanth G, Research Scholar, < prasanthgha...@sssihl.edu.in> wrote:
> Dear Bratin, > > Thank you for your prompt response. would using an isotropic pcoupletype > have any effect on a membrane protein simulation? > It will keep the box vectors in the same ratio, yes... hence isotropic. If we provide same ref_p values for all three axis (as in the above case)in > a semiisotropic treatment, would this have the same effect as isotropic > treatment? > No. Semiisotropic permits one set of dimensions to get larger while the others get larger to a different extent (or even smaller). Not the same. I would be grateful if anyone can share the template of the mdp files for a > membrane protein simulation. > I suggest you check out https://www.livecomsjournal.org/article/5966-simulation-best-practices-for-lipid-membranes-article-v1-0 and learn from their suggestions and the reasoning :-) Mark Thank you again. > Regards. > -- > 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. > -- 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.
