[gmx-users] .mdp => Dihedral Angles conflict Bond Constraints ?

[Tsjerk Wassenaar]

Hi Lin,

> lincs-warnangle       =       30
> this allows each covalent bond to rotate at most 30 degrees....

This line says to issue a warning when a bond rotates more than 30
degrees. It doesn't say lincs-maxangle or something along those lines,
indicating prohibiting such rotations.

Tsjerk

-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
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