[gmx-users] gro to itp file

[soumadwip ghosh]

Hi,

You said you ran pdb2gmx to convert pdb to gro. This should also give you
the topology if you typed something like

gmx pdb2gmx -f lig.pdb -o lig.gro

It should give you lig.itp, topol.top and a posre.itp since u have already
updated the .rtp file.

Hope this helps

Soumadwip