jayant_jacques wrote:
Hi all!
I am attempting to simulate a protein with AEDANS and DABMI attached
to modified Cys. I got the .top files and .gro from PRODRG but on
attempting simulations I get the error
Warning: 'DAB' not found in residue topology database,
Please keep in mind that the partial charges computed by prodrg should
be applied with care. It may be a good idea to crosscheck your
parameters by comparison to some experimental data.
Jochen
So does any one have an idea how to build the residue topology for
AEDANS or DABMI. Is there any program out there that can help!!
Thanks
Jayant JAmes
Jayasundar Jayant James
Postdoc,
Department of Veterinary and Comparative Anatomy, Pharmacology
and Physiology(VCAPP), Washington state university, Pullman
99164-6520, USA.
http://www.chick.com/reading/tracts/0001/0001_01.asp
Phone office:335-5937, Cell:1-509-432-5790
Magic Bricks
<http://adworks.rediff.com/cgi-bin/AdWorks/click.cgi/www.rediff.com/signature-home.htm/[EMAIL PROTECTED]/1960669_1953607/1960144/1?PARTNER=3&OAS_QUERY=null%20target=new%20>
------------------------------------------------------------------------
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
************************************************
Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
************************************************
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
