On 2/15/13 3:22 PM, zugunder wrote:
Oh, forgot about it completely... Thank you very much!
BTW, is there any automated way to get rid of solvent molecules in PDB? I
just need the structure for further manipulations (like mutations and adding
several residues to the end). I do not find any options in editconf,
deleting manually from PDB will take some time...
Create an index group that encompasses all non-solvent atoms (or whatever you
like) and pass it to trjconv, then choose that group as the output.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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/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
