On Tue, Nov 15, 2022, Swapnil Singh via AMBER wrote:
>I just started learning AMBER software so I have some basic questions.
>I want to do the MD simulations using AMBER software on the Bigred3
>supercomputer via SSH and Putty server. I have downloaded the pdf file and
>am able to run pdb4ambercommand to get rid of water and extra hydrogens.
>Now to make a prmtop and inpcrd files I need xleap but I am unable to call
>this. Can you please help me to proceed further?
You don't need xleap -- I very rarely use it myself, and it doesn't work
well over a remote connection. Use tleap instead. You won't be missing
much, if anything at all.
...good luck....dac
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Received on Tue Nov 15 2022 - 11:00:03 PST
