On Tue, Jun 04, 2019, Sadaf Rani wrote:
>
>Please suggest I am new to amber and facing alot of problems
A generic suggestion: start with simple things (standard protein with
no solvent; then add water; then add ions;)
Next, try a single ligand -- doesn't matter which one: all you are
trying to do is to successfully get past the tleap step.
Basic idea is to learn by gaining experience and confidence with systems
of every-increasing difficulty. Make small changes, so that if you
encounter an error, you have a "working" reference to refer back to`
...good luck...dac
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Received on Tue Jun 04 2019 - 13:00:02 PDT
