[AMBER] GBSA decomposition per reside

From: SANCHEZ MURCIA, PEDRO ALEJANDRO <pedro.iqm.csic.es>
Date: Tue, 24 Jan 2012 22:49:18 +0100

Hi,

I'm doing energy calculations with GBSA of a MD of a protein with a
peptide as ligand.

But when I try to calculate to decompose per residue, an error is reported:

bad atom type: EC
         /opt/amber10/exe/sander -O -i sander_com.in -o
sander_com.1.out -c ../01_Generate/snaps_com.crd.1 -p ../complex.top
not successful

How can I solve it?

Thank in advance,

Pedro Sánchez, PhD Student
Instituto de Química Médica CSIC
28006 Madrid - Spain



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Received on Tue Jan 24 2012 - 14:00:03 PST
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