AMBER: How to build dynamics input for guanine with tleap ?

From: Maciej <makay22.wp.pl>
Date: Thu, 24 Feb 2005 14:44:37 +0100

1.How to build dynamics input for guanine with tleap ?

When i try to make input form standard guanine pdb generated from HyperChem i get that error

 DG = loadpdb dg.pdb
Loading PDB file: ./dg.pdb
  total atoms in file: 33
  Leap added 1 missing atom according to residue templates:
       1 H / lone pairs


2.What method is used to calculation energy of solwatation ?



-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Thu Feb 24 2005 - 13:53:00 PST
Custom Search