Justin A. Lemkul wrote:
nicegromacs wrote:
CAG -CAM
Defining a bond to a previous residue will certainly fail for at least
one terminus of your polymer chain. You may find this post useful:
http://oldwww.gromacs.org/pipermail/gmx-users/2009-March/040125.html
I don't have any relevant experience, but the quoted .rtp might be using
a technique suited for creating a circular/infinite polymer, which would
cause the present problem. Finite polymers need capping residues, either
explicitly defined, or using the .tdb mechanism. See chapter 5.
Mark
_______________________________________________
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
