XUEMING TANG wrote:
Hi
I noticed a new position restraint com function of Gromacs (Implement
new position restraints that restrain particles with respect to the
center of mass of a group (e.g. for cluster simulations).) How can I get
detailed mdp file set up for this function? Is it a pr.mdp or md.mdp
with pull code?
I'm guessing you found that information here?
http://www.gromacs.org/Developer_Zone/Roadmap
http://www.gromacs.org/Developer_Zone/Programming_Guide/Position_Restraints_Development
The "Roadmap" list is a bit outdated, but for the most part, if it doesn't say
"Done" then it hasn't actually been implemented. What's shown online is
basically a to-do list.
-Justin
Thanks in advance!
Best!
Max
--
========================================
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
========================================
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