COLVARs for Cremer-Pople puckering parameters in NAMD Metadynamics

From: Chythra J N (jn_chythra_at_iitgn.ac.in)
Date: Tue Oct 06 2020 - 21:57:46 CDT

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Hi,

I am trying to carry out *Well-Tempered Metadynamics in NAMD for sugars*.
Is there a *COLVARs module to incorporate Cremer-Pople puckering
parameters*(Phi,
theta) similar to dihedrals? If not, kindly advise me if it is possible to
merge/loop existing COLVARs to obtain the desired function in colvarsConfig
file.

Thanks in advance
Regards
Chythra

Chythra J N
PhD Scholar
Discipline of Chemistry
IIT Gandhinagar

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