Constraining bonds that aren't hydrogens - splitPatch usefulness ?

From: Marlon Sidore (marlon.sidore_at_gmail.com)
Date: Wed Mar 22 2017 - 07:08:50 CDT

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Hello,

I'm currently trying to constrain bonds for MARTINI simulations in NAMD.
I'm using this suggestion:
http://jeffcomer.us/downloads.html
And adding to the condition the atom names that are included into
constrained bonds.

Two questions arise:
What is the reason for commenting "splitPatch = SPLIT_PATCH_POSITION;" ?
Is considering these atoms "as hydrogens" for the constraints change
anything else than what I want ? I mean, is there any unintended
consequence later in the code ?

Thanks for your consideration

Marlon Sidore

PhD Student
Laboratoire d'Ingénierie des Systèmes Macromoléculaire (LISM)
CNRS - UMR7255
31, Chemin Joseph Aiguier
13402 cedex 20 Marseille
France

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