---------------------------- Original Message ----------------------------
Subject: Solvate Box od amoeba water
From: "Hemant Gangwar" <hemant.physics.iisc.ernet.in>
Date: Fri, March 6, 2009 3:00 pm
To: amber.ambermd.org
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I am using Amber10 . I am trying to Solvate Carbon nanotube(sp2 carbons)in
amoeba water using Sleap.I used following procedure
Source leaprc.amoeba
loadoff cnt.lib(lib file for CNT structure)
solvatebox DEN WATBOX 4
DEN is unit name for CNT & SP2 CARBON has been named as "CA" in cnt.lib file.
I got following error message
Warning: no amber force field has been loaded, VDW radii set to 1.5.
Though leaprc.amoeba loads amoebapro.prm file.
If I am trying to load other force field file than it says atom 202 &203
can not be identified.(atom 202 & 203 are amoeba water H & o ,defined in
amoebapro.prm).
thanks in advance.
--
Hemant Gangwar
Graduate Student
Centre for Condensed Matter Theory
Indian Institute of Science
Bangalore
Mob-9632726167
www.physics.iisc.ernet.in/~hemant
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Received on Sun Mar 08 2009 - 01:07:12 PST
