[AMBER] MD Average pdb

From: edu troche <eduardo.troche.uvigo.es>
Date: Fri, 21 Dec 2012 13:26:11 +0100

Hi Amber users,
I have a doubt about ambpdb and its functionality when generating an
average pdb from a simulation. Because of time machine restrictions, I had
to perform a MD simulation in fragments. I know that I can join the .mdcrd
parts together with a simple ptraj script. Is there a way that I can do the
same with with the .rst individual files, so that I can create afterwards
an average pdb file from the whole simulation?

Thanks in advance ,

Eduardo Troche Pesqueira <http://webs.uvigo.es/webqo3/people/eduardo.html>
Tel. 986812309
Edificio E, Andar 3º, Laboratorio1
Facultade de Químicas
Departamenteo de Química Orgánica
Lagoas-Marcosende
Universidade de Vigo
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Dec 21 2012 - 04:30:03 PST
Custom Search