Dear GROMACS users
I want to analysis of 2 micelles that are created in one simulation, when I
view output of trajectory by vmd or ngmx:
ngmx -f md.trr -s md.tpr
has been created 2 micelles, then I try to micelle clustering by:
1. trjconv -f md.xtc -o a_cluster.gro -e 0.001 -pbc cluster
2. grompp -f md.mdp -c a_cluster.gro -o a_cluster.tpr
3. trjconv -f md.xtc -o a_cluster.xtc -s a_cluster.tpr -pbc nojump
but when I view cluster.xtc, just has been created one micelles and remainder
of monomers have been collected in different places in 3 or 4 groups!!!
May I know why do this occur? and where is my mistake? and what should I do,
please?
Please help me.
Best Regards
Sara
--
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
