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 - 08:00:03 PDT
