Re: xplor-formated parameters

From: Chris Harrison (charris5_at_gmail.com)
Date: Tue Dec 06 2011 - 12:41:05 CST

Keith,

You should mail the namd-l list instead. The "namd" list is actually
for reporting bugs.

Why do you want them in xplor format? Namd accepts the charmm format.

Best,
Chris

--
Chris Harrison, Ph.D.
Theoretical and Computational Biophysics Group
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801
char_at_ks.uiuc.edu                          Voice: 773-570-0329 
http://www.ks.uiuc.edu/~char              Fax:   217-244-6078
"Constantine, Keith" <keith.constantine_at_bms.com> writes:
> Date: Tue, 6 Dec 2011 09:22:18 -0500
> From: "Constantine, Keith" <keith.constantine_at_bms.com>
> To: "namd_at_ks.uiuc.edu" <namd_at_ks.uiuc.edu>
> Subject: xplor-formated parameters
> 
> Dear Sir or Madam,
> 
> Would it be possible to obtain the complete CHARMM22  or CHARMM27 parameter set used by NAMD in X-PLOR format. Any help with this would be greatly appreciated.
> 
> Sincerely yours,
> 
>     Keith Constantine
> 
> Keith L. Constantine, Ph. D.
> 
> Sr. Research Investigator II
> Mechanistic Biochemistry
> Bristol Myers Squibb Research and Development
> P.O. Box 4000
> Princeton, NJ 08543-4000
> Tel: (609)-252-6926
> Fax: (609)-252-6012
> e-mail: keith.constantine_at_bms.com
> 
> 
> ________________________________
> This message (including any attachments) may contain confidential, proprietary, privileged and/or private information. The information is intended to be for the use of the individual or entity designated above. If you are not the intended recipient of this message, please notify the sender immediately, and delete the message and any attachments. Any disclosure, reproduction, distribution or other use of this message or any attachments by an individual or entity other than the intended recipient is prohibited.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:24:35 CST