Quoting jayant_jacques <[EMAIL PROTECTED]>: > > > 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,
This is a very common error. Check the wiki entry for information as to why it's coming up and what to do about it: http://wiki.gromacs.org/index.php/Errors#Residue_.27XXX.27_not_found_in_residue_topology_database -Justin > > 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 ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ 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
