RE: AMBER: about RMSD per residue

From: Wei Huang <whuang.cct.lsu.edu>
Date: Wed, 16 Jul 2008 10:08:36 -0500

Hi Ross,

        For large system, is there any convenient way to do this? Thanks!

Best,
Wei
On Wed, 2008-07-16 at 07:52 -0700, Ross Walker wrote:
> trajin foo1.mdcrd.gz
> trajin foo2.mdcrd.gz
> trajin foo3.mdcrd.gz
> reference foo_start.inpcrd
> image center origin
> rms reference mass out res_001.dat :1 name res_001 nofit
> rms reference mass out res_002.dat :2 name res_002 nofit
> rms reference mass out res_003.dat :3 name res_003 nofit
> rms reference mass out res_004.dat :4 name res_004 nofit
> rms reference mass out res_005.dat :5 name res_005 nofit
> rms reference mass out res_006.dat :6 name res_006 nofit
> rms reference mass out res_007.dat :7 name res_007 nofit

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo.scripps.edu
Received on Sun Jul 20 2008 - 06:07:11 PDT
Custom Search