Chains, LEaP and ambpdb

From: Luis Gracia <>
Date: Tue 17 Dec 2002 14:47:59 -0500

Hi everybody!

I constructed a system with LEaP that has more than 10000 waters. When
converting the files to pdb with the program ambpdb I get **** in the
residue number from 10000 up. Does anyone know about a script to get
around this, may be adding chain labels every 10000 water molecules? I
also need to read a md simulation output from this system back in LEaP
again, and it seems to me that it is only possible converting the
restart file to pdb. Is there a way to input the amber restrt file into

Thank a lot, and happy holidays!

Best, Luis

Luis Gracia, PhD
Dept. Physiology & Biophysics, 21-280
Mt Sinai School of Medicine
One Gustave L. Levy Place, New York NY 10029
Tel: (212) 241-0858   ---   Fax: (212) 860-3369
Received on Tue Dec 17 2002 - 11:47:59 PST
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