AMBER Archive (2009)

Subject: [AMBER] xleap input pdb problem

From: Majeed Shaik (m.shaik_at_manchester.ac.uk)
Date: Wed May 06 2009 - 13:47:45 CDT

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


  • application/octet-stream attachment: FLE.mol2


  • application/octet-stream attachment: oct.pdb

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