Re: Axis Definition in Metadynamics

Date: Thu Mar 11 2021 - 10:21:32 CST

Yes, you can applied torque using Tclforces.

Search in NAMD tutorial there is an best example.


Enviado desde mi iPhone

> El 10 mar. 2021, a la(s) 1:58 p. m., Sodiq Waheed <> escribió:
> Hello NAMD Users,
> I want to calculate the helical axis of an alpha-helix of a protein and I want to rotate that particular axis with respect to one of the domains of the protein. Is there a way to implement and perform this in NAMD?
> Thank you
> Sodiq

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