AMBER: antechamber

From: Santanu Roy <san9roy.gmail.com>
Date: Sat, 12 May 2007 11:20:13 +0530

Dear Scott,
               There is a problem in sending 5/6 attachments. Any way I am
sending the input file for the antechamber. Antechamber could not run on
this system. My system is Zn (II) containing truncated active site of
thermolysin with PHQ-DTH inhibitor. H atoms were added to satisfy the
valency of the system. Please check and tell me whats wrong with it.
Actually I want make a force field parameter file by using
Antechamber(prepin & frcmod).


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

Received on Sun May 13 2007 - 06:07:42 PDT
Custom Search