Tinker is a completely separate package from Amber and this particular
question does not relate to Amber at all. Asking questions about program X
on program Y's email support list violates common netiquette. The
resources volunteered here are volunteered to support Amber, and if this
forum expanded its scope beyond that it would lose a significant amount of
its value (same thing applies to other program-specific lists, like NAMD,
VMD, CHARMM, etc.)
Please try to find a more appropriate list for this question. Suggestions:
see the contact email on the Tinker website (
http://dasher.wustl.edu/tinker/).
Other general forums that accept a much wider range of topics are the CCL (
http://www.ccl.net/) and Researchgate, and this question would be welcome
there. Although there is no guarantee someone will know the answer, of
course.
All the best,
Jason
On Wed, Oct 28, 2015 at 1:51 PM, Christina Berti <cberti.purdue.edu> wrote:
> Hello,
>
> I am wondering what the appropriate syntax is for restraining all but
> hydrogen atoms in a TINKER .key file. The "RESTRAINT-POSITION" term is
> definitely a required entry of the .key file, but I am not sure what to put
> in the following entry, designated for an integer representing the atom
> number. I would like to restrain all hydrogens rather than just one atom.
>
> CB
>
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Oct 28 2015 - 13:30:04 PDT
