[AMBER] Umbrella sampling scripts

From: emanuele falbo <falbo.emanuele.gmail.com>
Date: Thu, 27 Sep 2018 14:33:59 +0100

Dear users,

I am following the umbrella sampling tutorial on the web site
http://ambermd.org/tutorials/advanced/tutorial17/section2.htm .
I got a bit stuck when using the perl scripts for running all the
calculations., because I would like to use these scripts (here is attached
one type.) for running the calculations in parallel on my workstation ( it
is not a cluster).

So , I am wondering if anybody knows the way to modify them and get the
calculations done successfully.

Best Regards

*Emanuele Falbo*
PhD student
Penfold group
School of Natural and Environmental Sciences
Bedson Building, Newcastle University
Newcastle upon Tyne, NE1 7RU
w: http://tompenfoldresearch.weebly.com/

AMBER mailing list

Received on Thu Sep 27 2018 - 07:00:02 PDT
Custom Search