AMBER Archive (2004)

Subject: RE: AMBER: calculate ligand's rmsd

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Thu Dec 09 2004 - 00:00:30 CST

http://amber.scripps.edu/tutorial/polyA-polyT_New/minandmd1.html#3.3.2

/\
\/
|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 |
| EMail:- ross_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk/ | PGP Key available on request |

 

> -----Original Message-----
> From: owner-amber_at_scripps.edu
> [mailto:owner-amber_at_scripps.edu] On Behalf Of Yong Xu
> Sent: 08 December 2004 22:11
> To: amber_at_scripps.edu
> Subject: AMBER: calculate ligand's rmsd
>
> Dear Amber-users
>
> how to calculate ligand's rmsd by fitting all protein atoms
> (or CA atoms) ?
> how to set carnal_rms.in, and then I can use carnal <carnal_rms.in ?
>
>
> thanks in advance
>
>
> $B!!!!!!!!!!!!!!!!(BYong Xu
> $B!!!!!!!!!!!!!!!!(Byxu_at_mail.sioc.ac.cn
> $B!!!!!!!!!!!!!!!!!!!!(B2004-12-09
>
>
>
> ******************************************************************
> * State Key Lab of Bioorganic & Natural Product Chemistry *
> * Shanghai Institute of Organic Chemistry *
> * Chinese Academy of Science *
> * 354 Feng Lin Road, Xu Hui District *
> * Shanghai, 200032, China *
> * Email: yxu_at_mail.sioc.ac.cn *
> *******************************
>
>

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