Date: Thu, 21 Jun 2012 04:18:09 -0500
Dear Amber community:
I am trying to create disulfide bonds in a protein model using xleap. All of the cysteine residues in the PDB file are named "CYX". I enter the following, for example:
bond pro.155.SG pro.359.SG
This is exactly what the manual indicates should be done.
When I enter the above, xleap complains:
bond: Argument #1 is type String must be of type: [atom]
usage: bond <atom 1> <atom 2> [order]
Can someone help me find out what I am doing incorrectly? I am using Amber 12 and AmberTools 12.
Thanks!
John M. Beale, Jr., Ph.D.
Professor of Medicinal Chemistry and Pharmacognosy
Saint Louis College of Pharmacy
4588 Parkview Place
Saint Louis, Missouri 63110-1088
Office: 314-446-8461
Cell: 314-315-0409
FAX: 314-446-8460
John.Beale.stlcop.edu<mailto:John.Beale.stlcop.edu>
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