AMBER Archive (2008)

Subject: RE: AMBER: about RMSD per residue

From: Wei Huang (whuang_at_cct.lsu.edu)
Date: Wed Jul 16 2008 - 10:08:36 CDT

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

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