James Starlight wrote:
Dear Gromacs Users!
I could not find how I can add missing hydrogens after their removing by
pdb2gmx -ignh.
I have modified structure of my protein after editing by some soft and I
removed all hydrogens but now I want to add it back in accordance with
gromos ff topology
How I can do it ?
They are removed and rebuilt entirely by pdb2gmx in accordance with the
instructions found in the .hdb file. If there are no hydrogens in the input,
then -ignh is irrelevant.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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 [email protected]
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 [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
