Hi,
You can email me we have a tool for mmpbsa with gromacs
Andrea
Messaggio inviato dal mio ASUS MeMO Pad
Justin Lemkul ha scritto:
On 10/25/13 11:43 AM, Sajad Ahrari wrote:
> is AMBER facilities the only way of approaching MM-PBSA calculations? could
> you
> lead me to any other software m
On 10/25/13 11:43 AM, Sajad Ahrari wrote:
is AMBER facilities the only way of approaching MM-PBSA calculations? could you
lead me to any other software more friendly with Gromacs MD output?
See what Google tells you.
-Justin
--
==
Justin A. L
On 10/25/13 11:32 AM, Sajad Ahrari wrote:
thanks for replying. are these features available under Gromacs? and is there
any tutorial or related material I can grasp to stand up for start?
My umbrella sampling tutorial covers generating a PMF. MM/PBSA is just a
post-processing technique, re
On 10/25/13 11:07 AM, Sajad Ahrari wrote:
Hello dears
searching through literature, many cases of LIE method application for BFE
calculation of small molecules are on hand . but I couldn't find any report of
using this method for interaction of small peptides and proteins. I wanted to
know
Hello dears
searching through literature, many cases of LIE method application for BFE
calculation of small molecules are on hand . but I couldn't find any report of
using this method for interaction of small peptides and proteins. I wanted to
know if the protocol prepared in Justin tutorial
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