[AMBER] sietraj

From: Yossa Dwi Hartono <Yossa.DH.gmail.com>
Date: Wed, 16 Jun 2010 15:10:14 +0800

Dear AMBER users

When running sietraj I got this error:

Loaded Britcl-v2.1j.so
Britcl_functions.tcl,v 1.9 2007/11/28
(MarTetSurf::ConstructSASPoints) MAXSAS too small

I have tried changing MarTet_TMP_SIZE **value from 200000 to something
bigger like 500000 or even 1000000. I also tried assigning bigger values to
MarTet_MAXN2 and MarTet_MAXN2, but to no avail.
The trajectory is not very big (~3000 atoms, nobox, WAT and counterions
Some advice, please. Thanks in advance.

Yossa Dwi Hartono
Chemistry and Biological Chemistry
School of Physical and Mathematical Sciences
Nanyang Technological University
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Received on Wed Jun 16 2010 - 00:30:03 PDT
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