AMBER Archive (2005)

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

From: Maciej (makay22_at_wp.pl)
Date: Thu Feb 24 2005 - 07:44:37 CST

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 ?

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