AMBER Archive (2007)

Subject: AMBER: Error in protonating

From: Neelanjana Sengupta (senguptan_at_gmail.com)
Date: Fri Apr 27 2007 - 06:31:52 CDT

Dear Amber users,

In protonating a peptide (coordinates available in pdb format), I use the
foll. command:

protonate -d PROTON_INFO < peptide.pdb > peptide2.pdb

and, I get the foll. error:

:-) G R O M A C S (-:
Segmentation fault

The peptide2.pdb does get created, but is a blank file. Could someone point
out what's missing here? I am using amber7.

Thanks, 

-- 
****************************************
Neelanjana Sengupta, PhD student
Dept. of Chemistry
Univ. of California-Irvine
Irvine, CA 92697
USA
Phone: 1-949-824 9921
email: sengupta_at_uci.edu
****************************************

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