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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Received on Sun Nov 05 2006 - 06:07:09 PST
