AMBER Archive (2006)

Subject: Re: AMBER: Where can I find the SMD parameter file (or simple turtorial) in AMBER9

From: Adrian Roitberg (roitberg_at_qtp.ufl.edu)
Date: Fri Aug 11 2006 - 15:23:10 CDT

Cheng Luo, Ph.D. wrote:
> Hi,
>
> I am new user about SMD on AMBER9.
>
> Does any know where can I find the SMD parameter file (or simple turtorial) in AMBER9. I want to pull a compound from a channel of a protein. However, there is only very simple words about SMD in AMBER9 manual. If you know sth about it, please feel free to give me some advices or if you can send me your input file in SMD, that is better.
>
> Thank you very in advance!
>
> Best regards,
>
>
> Cheng Luo
>
> The Wistar Institute
> PA(19104) USA
>
> 2006-08-11
>
Under the test directory in the amber9 instalation there are example
files. Please look under the dirs jar and jar.multi

Pls let me know if you need help with this.
a. 

-- 
                           Dr. Adrian E. Roitberg
                             Associate Professor
              Quantum Theory Project and Department of Chemistry

University of Florida                         PHONE 352 392-6972
P.O. Box 118435                               FAX   352 392-8722
Gainesville, FL 32611-8435                    Email adrian_at_qtp.ufl.edu
============================================================================

To announce that there must be no criticism of the president,
or that we are to stand by the president right or wrong,
is not only unpatriotic and servile, but is morally treasonable
to the American public."
  --  Theodore Roosevelt
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu