[AMBER] A problem in using tLeap

From: Morteza Chehel Amirani <chehelam.ualberta.ca>
Date: Mon, 15 Jun 2015 12:12:50 -0600

Hello everyone

I have a mol2 input file in which 2 non-bonded residues exists. I used
tLeap to add ions and solvate the residues, and then saved the new file in
mol2 format. The problem is that the two residues become one residue in the
new file, which makes the simulation fail in Amber. I'm wondering if anyone
knows what causes the problem? Thanks.

*Morteza Chehel Amirani*
PhD Candidate
Department of Mechanical Engineering
University of Alberta
6-29 Mechanical Engineering Building
Edmonton, Alberta, T6G 2G3

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Received on Mon Jun 15 2015 - 11:30:02 PDT
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