Hello All,
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?
I did my research and that suggest to open a visual software on SSH I need
to enable X11 forwarding which I did via Ximng but still couldn't open
Xleap. I guess Xleap is an inbuilt software along with AMBER which could be
the reason I am not able to see that while using the command "Module
avail". I am just stuck now and have no idea to go further. I also seek
help from my computational facility people but they are unable to help in
it. I have seen a lot of videos as well but most of them are on LINUX OS
so they might have AMBER in their desktop so that didn't work too in my
case.
I would appreciate it if anyone working on a similar platform could guide
me.
Thanks,
Swapnil
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Received on Tue Nov 15 2022 - 09:30:02 PST
