[gmx-users] Convert gro into psf
roshanpra at gmail.com
Tue May 10 05:23:37 CEST 2016
I am extremely sorry that I did not provide full command, the command is-
gmx pdb2gmx -f 6pti.pdb -o bpti.gro -p topol.top -ignh -v where I chose
charmm27 for force field and tip3p for water model.
On 10 May 2016 8:39 am, "Roshan Shrestha" <roshanpra at gmail.com> wrote:
> Is it possible to convert .gro file into. psf file ?
> I am finding it tough to create psf file for 6pti.pdb using NAMD. So, Can
> I convert say bpti.gro into bpti.psf where I produced bpti.gro using
> command gmx pdb2gmx -f 6pti.pdb -o bpti.gro -p
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