AMBER Archive (2008)

Subject: AMBER: MM-PBSA -energy decomposition error

From: Cristina Sisu (csds2_at_cam.ac.uk)
Date: Wed Oct 22 2008 - 17:07:43 CDT

Hi all,

When I try to do an energy decomposition on a protein-ligand complex, I
get the following error:
> Missing TVDW for MM in 25 (residue 2750)
I've searched the archive but wasn't very lucky in finding an answer.
All the process stops at
> =>> Reading files
> Reading snapshot_com.all.out
I've checked the snapshot_com.all.out file and seems ok.

Any ideas what to do next?

Thank you,
Cristina
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu