[AMBER] parmchk

From: <tsurma.umich.edu>
Date: Wed, 12 Jan 2011 12:55:14 -0500

Hi,

I am Surma Talapatra, a 2nd year graduate student at Uiversity of Michigan,
Chemistry, working with Prof. Eitan Geva.
I am using AMBER10 to create a system of HCl molecules. I used gaussian
(g03) to give charges to HCl pdb file. Then I converted the .gout file to
.mol2 file using antechamber. Then I used parmchk to get the frcmod file,
but I am getting a strange error in the parmchk file:

remark goes here
MASS
ha 1.008 0.135
cl 35.450 1.910

BOND
ha-cl 0.00 0.000 ATTN, need revision

ANGLE

DIHE

IMPROPER

NONBON
 ha 1.4590 0.0150
 cl 1.9480 0.2650

My mol2 file is:

.MOLECULE
HCL
 2 1 1 0 0
SMALL
resp

.ATOM
 1 H1 0.0000 0.0000 -1.1960 ha 1 HCL 0.266541
 2 Cl1 0.0000 0.0000 0.0700 cl 1 HCL -0.266541
.BOND
 1 1 2 1
.SUBSTRUCTURE
 1 HCL 1 TEMP 0 **** **** 0 ROOT

Surma Talapatra

Graduate Student

Chemistry

U Michigan

On Wed, 12 Jan 2011 09:48:24 -0800, amber-request.ambermd.org wrote:
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Received on Wed Jan 12 2011 - 10:00:04 PST
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