[AMBER] Virtual waters

From: Fernando Martín García <fmgarcia.cbm.uam.es>
Date: Wed, 17 Feb 2010 11:59:05 +0100

Dear amber users:

I've generated a waterbox using VMD. The total number of atoms of my
system is more than 190000.

When i try to generate the topology and coordinate files with tleap, it
only recognizes until 9999 residue, so the box is incomplete.

I've tried to substitute the numeration of the atoms by ****, but it
doesn't work.

anybody knows how to tleap recognizes all waters (atom and residue
numeration) in tleap?. Now i'm using amber10.

Thanks
-- 
Fernando Martín García.
Centro de Biología Molecular "Severo Ochoa". 
C/ Nicolás Cabrera, 1. 
Campus UAM. Cantoblanco, 28049 Madrid. Spain.
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Received on Wed Feb 17 2010 - 03:00:03 PST
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