[AMBER] about alanine scanning

From: <lidansa.mail.ustc.edu.cn>
Date: Tue, 22 Jun 2010 23:47:53 +0800 (CST)

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
 Something wrong with NGR 3139 3149


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Received on Tue Jun 22 2010 - 09:00:05 PDT
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