[gmx-users] Minimization of a drug alone

[Tanos C. C. França]

            Hi folks,
            Is it possible to perform a em of a drug alone (do not
docked into a protein ???) in gromacs ?? I have been trying but  grompp
do not recognize the .top file I generated in the PRODRG server. Is
there any other way of generating the .top file of my DRG ??????
            Thanks a lot in advance.
            Tanos C. C. Franca.

---
Outgoing mail is certified Virus Free.
Checked by AVG anti-virus system (http://www.grisoft.com).
Version: 6.0.483 / Virus Database: 279 - Release Date: 19/05/2003
 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20030605/969d6924/attachment.html>