[gmx-users] Fwd: umbrella sampling

[Nivedita Rai]

---------- Forwarded message ----------
From: Nivedita Rai <bioinfonivedta at gmail.com>
Date: Fri, Sep 8, 2017 at 9:39 PM
Subject: umbrella sampling
To: gromacs.org_gmx-users at maillist.sys.kth.se


Dear gromacs developers,

I am trying to implement umbrella sampling in my work but instead of
distance pulling i want to do rotational pull with the gap of 10 degree. I
went through your tutorial and many articles but im unable to find  how to
implement rotational pull in .mdp file. will you please guide me or send me
any article which i can refer for my objective.


-- 
Thanks and regards


Nivedita Rai
PhD in Bioinformatics
Centre for Bioinformatics
Pondicherry University, Pondicherry (605014), INDIA




-- 
Thanks and regards


Nivedita Rai
PhD in Bioinformatics
Centre for Bioinformatics
Pondicherry University, Pondicherry (605014), INDIA