Hello,
First of all i want to say thank you for the fast replies and all your help.
I am trying to run Amber on a PBS server to run single point energy (SPE) calculations on a system of a protein and a membrane patch using the force fields within amber.
>From past consultation with you guys my strategy is to run a minimization job with zero steps to get the SPE i am looking for.
The thing is i am trying to install and compile Amber properly on the PBS server and i am having some difficulties, it would really help if you could refer me to some examples or test cases i could use to check whether Amber is installed and compiled properly.
Thanks again for everything,
Benji
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Received on Sun Mar 02 2025 - 10:00:02 PST
