Hi all, I want to build elastic network model using gromacs. I consider only c-alpha atoms and only bond stretching term contributes to towards potential energy. Bonds are connected between atoms present with in certain cut-off distance(modified topology accordingly). When I run md the atoms are not present at the equillibrium distance but moving very far distances , in different directions. I do not want to use constraints. How can i avoid this?
2) Has anyone built elastic network model in gromacs? Please suggest me a way, Thank you in advance, Mohan. -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists