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
LEaP?
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
e.mail: luis.gracia_at_mssm.edu
Received on Tue Dec 17 2002 - 11:47:59 PST
