Hi Ansuman, That is optional.
Regards, Vijayan.R On Tue, Sep 9, 2014 at 4:38 PM, Ansuman Biswas < ansu...@physics.iisc.ernet.in> wrote: > Hi, > Can someone please explain if it is necessary to use the -t flag during > NPT equilibration? > > The following command is mentioned in the lysozyme tutorial: > $ grompp -f npt.mdp -c nvt.gro -t nvt.cpt -p topol.top -o npt.tpr > > whereas , I have found the command without the -t flag in another tutorial: > grompp -v -f npt.mdp -c protein-NVT.gro -p protein.top -o protein-NPT.tpr > > > Thanking in advance, > regards, > ansuman > > -- > This message has been scanned for viruses and > dangerous content by MailScanner, and is > believed to be clean. > > -- > 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.
