[AMBER] AMBER: molsurf.c error

From: 王亚茹 <xiaoruru1984.163.com>
Date: Tue, 2 Nov 2010 18:10:05 +0800 (CST)

Dear all:

when I run mm_pbsa, it gives me

   MAXAT=10000 exceeded
I find my problem that m system has more than 10000 atoms.So I changed the value of MAXAT in molsurf.h (as said in http://archive.ambermd.org/200605/0052.html).

Before changing the value ofMAXAT in molsurf.h, I copy myAMBER9source program in anew file, named amber-new, andrecompile mm_pbsa after changing the value. But when I run the mm_pbsa in /home/amber-new/exe with thecommand “./mm_pbsa.pl mm_pbsa.in > mm_pbsa.log”, the problem still exists. My question is: is there any mistake when I execute? Maybe change the parameter somewhere else?


Thanks in advance!


Yaru Wang

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Received on Tue Nov 02 2010 - 03:30:02 PDT
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