Yep, I only would like to restrain the lipids only during the initial
heating in 50 ps of the NVT ...
2017-08-18 16:31 GMT+02:00 ABEL Stephane <Stephane.ABEL.cea.fr>:
> James,
>
> In general, it is better only the protein and not lipid. Keep it mind that the lipid have to relax around the protein
>
> Stéphane
>
> ________________________________________
> De : James Starlight [jmsstarlight.gmail.com]
> Envoyé : vendredi 18 août 2017 16:17
> À : AMBER Mailing List
> Objet : [AMBER] A restrain mask for membrane protein simulation
>
> Dear Amber users!
>
> For my system - protein embedded into the membrane - I would like to
> restrain all atoms of protein and lipids during the beginning of the
> equilibration. Could you suggest me a logical expression for the
> restrains for amber mask (e.g to restrain all atoms but not :WAT)?
>
> Thanks !
>
> James
>
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Received on Fri Aug 18 2017 - 08:00:05 PDT
