AMBER Archive (2009)

Subject: [AMBER] multiple chain specification in Sander

From: Siddharth Rastogi (siddharthrastogi08_at_gmail.com)
Date: Wed May 06 2009 - 22:17:57 CDT

Dear AMBER users,

I have a simple query. In my protein of interest, there exists two chains
with same number of amino acid residues.
I want to restrain few residues from chain A and few others from chain B.
Can anybody help me, what symbol will be used to specify each chain and
residues in a sander input file ?

I was going like : 1-50.A_at_CA,C

But sander replies back as:

*Error in group input::atommask.f::residue_namelist
residue name should not have more than 4 chars*

Can anybody help me in this regard.

Thanks in advance.

Siddharth 

-- 
Siddharth Rastogi
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