Patargias, George wrote:
Thanks for your reply Justin.
I am trying to generate a topology dor a dna structure using the charmm dna.rtp
I have renamed the residue name to DA , DG etc. I have also set DA5 and DC3 for
the 5' and 3' ends
I got this error
Fatal error:
atom N not found in buiding block 2DG while combining tdb and rtp
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
I quess I need to change something in the .rtp and/or the .tdb files. But what?
Maybe, maybe not. It looks like pdb2gmx is trying to treat your DNA as protein.
What is your command line? What are you choosing for termini?
-Justin
Thanks a lot
George--
gmx-users mailing list gmx-users@gromacs.org
http://lists.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 gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.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 gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
