[gmx-users] genconf and bonded interactions

Fabio Affinito f.affinito at cineca.it
Tue Jul 26 16:28:17 CEST 2011


On 07/26/2011 04:19 PM, Justin A. Lemkul wrote:

>
> Were the molecules whole in the coordinate file you replicated? If not,
> the bonds will now be assigned across the entire box.
>
> -Justin
>
Yes and not, depending on what you mean by "whole".
It is an ion channel, so it's made of four chains.
This clarifies? (i guess not..)

F

-- 
Fabio Affinito, PhD
SuperComputing Applications and Innovation Department
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