Hİ, Thank you for reply but can i minimize fluctuation? On Wed, Nov 22, 2017 at 11:05 PM, Mark Abraham <mark.j.abra...@gmail.com> wrote:
> Hi, > > It's hard to say anything in the absence of any numbers about average or > fluctuations. Do check out > http://www.gromacs.org/Documentation/Terminology/Pressure > > Mark > > On Wed, Nov 22, 2017 at 9:59 PM ali akgün <ali.akgunp...@gmail.com> wrote: > > > Hİ all, > > > > I ran simulation of pvdf(ligand) in solution. My problem is pressure > > fluctuation, My system's pressure fluctuated around reference pressure > and > > average pressure is not equal to my reference pressure. I did well > > minimisation and nvt run for system before npt run. What should i do > about > > average pressure and reference pressure non-equality? I want to control > > system pressure because I research about pressure depended potential > across > > the box behavour of the pvdf. > > > > Thank you. > > -- > > 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. -- 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.
