[gmx-users] several itp

Алексей Раевский rayevsky85 at gmail.com
Sat Nov 12 15:40:55 CET 2011

Hi all. Justin, thank you for you quick respons )))
I want to clarify a situation with a number of ligands I can use in one
simulation. I have got files of 3 ligands converted from amber files to
gromacs with amb2gmx.pl script. To include this files in the topology file
I changed the extension of this files from top to itp. Is it possible to
include several .itp files in the section:
; Include forcefield parameters
#include "***.ff/forcefield.itp"
#include "lig1.itp"
#include "lig2.itp"
#include ....
In this case I've got an error with order of inputs...
Or I can add this topologies as top files in the section [ molecules ]...?
Thank you


Nemo me impune lacessit*
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