Re: [AMBER] AMBER

From: Asfa Ali <asfa.iisc.gmail.com>
Date: Fri, 5 Mar 2010 10:54:15 +0530

Hi,

Ya, I have tried using leaprc.rna.ff99. I want to simulate RNA quadruplex
structure which is a pure RNA and involves no protein.

When I am loading the pdb,after creating new atoms, it is showing :

*Leap added all 52 missing atoms according to residue templates,
                       52 H/ lone pairs

The file contained 52 atoms not in residue templates
Since added/missing = extra, there is a high probabilty of atoms
with 'incorrect' names; you want to
use addPdbAtomMap to map these names or change in files

*But the atoms should be there in leaprc.rna.ff99. How to solve this?

Thanks,
Asfa.
*
*
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Mar 04 2010 - 21:30:02 PST
Custom Search