[AMBER] Flag for saving particular residues.

From: HIMANSHU JOSHI <himanshuphy87.gmail.com>
Date: Sun, 19 Aug 2012 11:34:58 +0530

Dear all,
I am using amber12 PMEMD.cuda version.
I want to save only the solute trajectories
to avoid the massive trj. files, but I couldn't
find out the flag to save some particular residue, say 1 to 880.

Can anyone tell me this flag in mdin file for saving certain residues ?

-- 
*With Regards,
HIMANSHU JOSHI
Graduate Scholar, Center for Condense Matter Theory
Department of Physics IISc.,Bangalore India 560012*
ॐ सर्वे भवन्तु सुखिनः सर्वे सन्तु निरामयः।
सर्वे भद्रणिपश्यन्तु मा कश्चिद्दुःख भाग भवेत्॥
<http://www.rediffmail.com/cgi-bin/red.cgi?red=http%3A%2F%2Fsigads%2Erediff%2Ecom%2FRealMedia%2Fads%2Fclick%5Fnx%2Eads%2Fwww%2Erediffmail%2Ecom%2Fsignatureline%2Ehtm%40Middle%3F&isImage=0&BlockImage=0&rediffng=0>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Aug 18 2012 - 23:30:05 PDT
Custom Search