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.
