Molecular Dynamics of Rigid Linear Molecules in NAMD.

From: Javad Noroozi (noroozi_javad_at_ymail.com)
Date: Sun Sep 28 2014 - 00:44:28 CDT

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CO2 is parametrized as fully rigid in TraPPE potential model,however, NAMD require spring constants for bond stretching and angle bending. Assigning very high values for these parameters require very small time step. Any idea how to solve this issue?

Thanks in advance,
JAVAD

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