You don't need to change MAXESP. It is just for information. The program
reallocates memory itself.
Junmei
==================================================
Dr. Junmei Wang
Chemistry & Biophysics
Encysive Pharmaceuticals Inc.
7000 Fannin, Houston TX 77030
Tel: 713-578-6649
Email: jwang.encysive.com
http://amber.scripps.edu/antechamber/antechamber.html
==================================================
-----Original Message-----
From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf
Of nag raj
Sent: Thursday, November 10, 2005 4:37 AM
To: amber.scripps.edu
Subject: AMBER: ESP exceeds the MAXESP(20000),
Dear amber users,
When i ran espgen command, i got
the followong error.
"The number of the ESP exceeds the
MAXESP(20000),extend the size and reallocate the
memory"
My system has 46 atoms. In which file do i have to
change the MAXESP value?
Thanks in advance.
with regards
nagaraju
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Received on Thu Nov 10 2005 - 15:53:01 PST
