Dear all:
I use mm_pbsa.pl to perform alanine scaning, and I mutated two residues to ala. but received the error in alanine_scanning.log below. Is there anyone who has dealt with this issue before? thank you for your help!
=>> Checking sanity
Checking GENERAL
Implicit SAS calc by sander
Checking GC
Checking AS
Checking TRAJ
Checking MM
Checking PB
Checking GB
=>> Creating input
Sander input
PBSA input
make_crd input
=>> Creating coordinates
Executing makecrd
Amber8 Module: make_crg_hg
usage: make_crd_hg < trajectory_file
Box info found: 73.8120000000000 73.8120000000000
73.8120000000000
Something wrong with NGR 3139 3149
linda
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Received on Tue Jun 22 2010 - 09:00:05 PDT
