william Stebbeds wrote:
Hello,
I would like to use the parmbs0 Amber forcefield to Gromacs,
specifically the nucleic acid parameters.
Is this likely to come in a future release?
Force fields are only implemented if a developer has a compelling reason to do
so, and then take the time to validate it. As such, new force fields are not
often introduced.
I appreciate that this will likely be a difficult process but if anyone
can point me in the right direction I would be very grateful.
You can probably take an existing Amber force field and modify it. Chapter 5 is
your friend here. By modifying existing files, you don't have to come up with
all the syntax by yourself.
-Justin
Will - Cranfield University
--
========================================
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
