[email protected] wrote:
Hello gmx_users,
I have a query.I generated my ligand topology from swissparam using charmm
forcefields.Later in the tutorial after minimization step,You have
mentioned of program genrestr to restrain the ligand.
Is it applicable to all other methods that are not following prodrg
software.If not,then we have to change it directly in topology file?
The methodology in the tutorial can be applied to any system. It is not
PRODRG-specific and hopefully I have not given the impression that it should be.
-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
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