AMBER Archive (2006)

Subject: AMBER: NEWPDB.PDB from antechamber

From: Esther Brugger (esther_brugger_at_yahoo.com)
Date: Wed Nov 01 2006 - 10:59:29 CST

Hello everyone,
 
 I am using the antechamber to calculate the charge. I checked the divcon.out file, it seems everything is OK. But when I load the output file "NEWPDB.PDB" in xleap or VMD, I found the structure is not corret, it is a littlbe bit mess up. Do you think is there something wrong there? If I load the initial pdb file with the prepin and frcmod files in xleap, it is no problem. Do you think I can still use the initial pdb file to do the other calcuations? Thanks a lot for your help!
 
 Bests,
 Esther B.

 
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