mm_pbsa question.

From: wentaofu <>
Date: Tue 17 Sep 2002 10:35:59 -0500

Dear Amber users,

I am using mm_pbsa to analysis binding energy of a ligand and protein. I run
into this problem as below with the mm_pbsa analysis of my MD trj file from
200-300 ps.

ERROR: GB program output is missing
check snapshot # 1 in file
correct and rerun mm_pbsa_statistics<in>out

Here is no GB output in the snapshot #1. It is OK if I do mm_pbsa on 100-200
ps trj file of the same MD simulation. Is it sth. wrong with the MD
simulation or I need to change GB parameter?

Wentao Fu
Received on Tue Sep 17 2002 - 08:35:59 PDT
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