[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
CINECA - via Magnanelli, 6/3, 40033 Casalecchio di Reno (Bologna) - ITALY
Tel: +39 051 6171794 Fax: +39 051 6132198
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