AMBER: Cut pdb files

From: Yogesh Sabnis <ysabnis.yahoo.com>
Date: Thu, 16 Jun 2005 00:57:18 -0700 (PDT)

Hello,

I dock molecules not in a whole protein but in a cut
pdb file (around 10 to enhance the speed of
calculations), I was wondering if the cut pdb files
canbe opened in Amber8.0

I dock molecules in QXP/FLO which uses compressed
macromodel file format. I subject the ligand to
multiple conversions and am able to create the .prep
and .parm files for the ligand. But when I try to load
the complex, the program crashes. I am attaching the
leap.log file.

I would appreciate if you could throw light on this
issue. Let me know if you need more indepth report.

Thank you


Kind regards,

Yogesh

########################

Yogesh Sabnis, PhD

BMC, Box 574,

Avd Org. Farm. Kemi,

Husargatan 3,

Uppsala - 751 23

Sweden







                
__________________________________
Discover Yahoo!
Stay in touch with email, IM, photo sharing and more. Check it out!
http://discover.yahoo.com/stayintouch.html

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu

Received on Thu Jun 16 2005 - 09:53:00 PDT
Custom Search