Subject: rMD/NMR in Water - SUMMARY

From: val <[email-masked]>
Date: Sun, 20 Dec 1998 13:14:21 -0800

Daer CCL'ers,

Some time ago I have asked about the freeware restrained Molecular
Dynamics programs to calculate DNA molecules structure using NMR
derived restrains (in explicit Water solution if possible).

The following programs were recommended:

 GROMACS    http://rugmd4.chem.rug.nl/~gmx
 TINKER     http://dasher.wustl.edu/tinker/
 NAMD/VMD   http://www.ks.uiuc.edu/Research/

 AMBER      http://www.amber.ucsf.edu/amber/amber.html   (commercial!)

I thank to David van der Spoel, Ramon Kleber da Rocha and David Case
for the replies.

best regards,
Valentin.

====================================================================
                                             ,         ,      ,   ,
Valentin P. Ananikov                         |\\\\ ////|     /////|
NMR Group                                    | \\\|/// |    ///// |
ND Zelinsky Institute of Organic Chemistry   |  |~~~|  |   |~~~|  |
Leninsky Prospect 47                         |  |===|  |   |===|  |
Moscow  117913                               |  |   |  |   |   |  |
Russia                                       |  | A |  |   | Z |  |
                                              \ |   | /    |   | /
e-mail: [email-masked]                     \|===|/     |===|/
http://nmr.ioc.ac.ru/Staff/AnanikovVP/          '---'      '---'
  Fax +7 (095)1355328   Phone +7 (095)9383536
====================================================================