[gmx-users] umbrella sampling

Nivedita Rai bioinfonivedta at gmail.com
Fri Sep 8 18:09:36 CEST 2017

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

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