[AMBER] QM&Lipid14

From: Sofia Vasilakaki <svasilak.chem.uoa.gr>
Date: Mon, 21 Sep 2015 02:58:28 +0300

Hi to everyone,

1. Any roughly approximation of the walltime for a membrane bound protein
MD simulation? I could hardly find any publications describing the method
using Lipid14 of Amber14.

2. During QM when you call gamess (&gms) in the input file, do you have to
export the path to gamess first? Any relevant publications performing QM
with AMBER14 and gamess DFT?

Thank you in advance,
Sofia V.


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Received on Sun Sep 20 2015 - 17:00:03 PDT
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