[gmx-users] Script for prodrg+gromacs

Spiwok Vojtech Vojtech.Spiwok at vscht.cz
Wed Nov 26 16:47:01 CET 2003

Dear Gromacs users/developers

A small perl script designed to attach a PRODRG-generated
coordinate file to a coordinate file generated by pdb2gmx
can be downloaded on:


The usage is:
>./addprodrg.pl protein.gro ligand.gro > complex.gro

It - updates total number of atoms
   - appends coordinates of the ligand
   - updates residue and atom numbers of the ligand
   - moves the line with box-size-info to the end

It's nothing big but could help. 
Perl gurus must appologize my floppy perl-ing.

Vojtech Spiwok
ICT Prague

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