[AMBER] MD and MD-tar restrictions

From: MYRIAN TORRES RICO <myriam.torres.iiq.csic.es>
Date: Fri, 08 May 2020 12:53:54 +0200

Hi all,

I have a question about the differents beetween MD and MD-tar (with
restrictions) about the use or not use the solvent.
I have understood that the last one haven't use water or box
solvation, whereas the MD (without restrictions) are more longer
because they work with water box...But when I launch my tleap, in both
cases I use the parameter water box with Cl-...
where is the step or point in the scritp where these molecular
dynamics are different?

Thanks in advance,


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Received on Fri May 08 2020 - 04:00:02 PDT
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