AMBER: antechamber for a database of organic molecules

From: Yogesh Sabnis <ysabnis.yahoo.com>
Date: Sun, 19 Feb 2006 07:16:23 -0800 (PST)

Dear All,

I have around 50 organic compounds (in pdb files) and
I wish to calculate the prmtop and inpcrd files for
all of them using antechamber.
Is there a easier way to do this for all at once
rather than taking one file at a time.

Thank you in advance.

Kind regards,
Yogesh

########################
Yogesh Sabnis, PhD
BMC, Box 574,
Dept. Organic Pharmaceutical Chemistry
Husargatan 3,
Uppsala - 751 23
Sweden

__________________________________________________
Do You Yahoo!?
Tired of spam? Yahoo! Mail has the best spam protection around
http://www.rosswalker.co.uk/adsense_alternatives/
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Feb 26 2006 - 06:10:05 PST
Custom Search