thank you so much for a prompt reply. how about the ref_p value? will that be 1 only? or 0 1 the way I had specified in my previous mail?
regards, pri... --- Pedro Alexandre Lapido Loureiro <[EMAIL PROTECTED]> wrote: > > > > compressibility = 0 0 0 0 0 0 ; off diagonals are > zero > > > > too!(hence 6 > values, > > as > > suggested by Erick > > Lindahl on one of > the > > replies) > > ref_p = 0 1 > > > > pcoupltype = semiisotropic ; requires two > values > > x/y and z. > > > Hi Priyanka, > > if you chose semi-isotropic coupling, then you have > to define 2 > compressibility values: x/y and z. > As long as you want a NPAT simulation, then write in > the .mdp file: > > compressibility = 0.0 4.5e-5 > > Cheers, > > Pedro. > > > > ---------------------------------------------------------------- > This message was sent using IMP, the Internet > Messaging Program. > > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please don't post (un)subscribe requests to the > list. Use the > www interface or send it to > [EMAIL PROTECTED] > Can't post? Read > http://www.gromacs.org/mailing_lists/users.php > __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
