[AMBER] xleap input pdb problem

From: Majeed Shaik <m.shaik.manchester.ac.uk>
Date: Wed, 6 May 2009 19:47:45 +0100

Hi,

 

I am trying to load a pdb file of a non-standard residue into xleap. After I
load the mol2 and frcmod file into xleap I load the pdb file and the
conformation is completely different to the actual conformation of the input
pdb file. I am attaching the mol2, frcmod, input pdb file here.I cannot
understand what's the problem with files.

 

Majeed


Received on Wed May 20 2009 - 14:55:35 PDT