On 06/27/2013 01:50 PM, Justin Lemkul wrote:
Then select by residue number. Note that genrestr will only work for
the first molecule, since position restraint numbering is based on the
[moleculetype] numbering, not the coordinate file numbering.
-Justin
thank you very much for kind advices.
I solved this by extracting each chain into indivisual coordinate and
make restrain based on them.
best
Albert
--
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