Jeffrey,
>But how can I get the .prmtop file corresponding to the merged trajectory since other analysis was based on the merged trajectory?
It sounds like you need to build a prmtop of your system in vacuo.
I would suggest repeating your LEaP build, but leave out any
commands that will add solvent (ie solvateoct or addions).
--Niel
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Received on Wed Sep 02 2009 - 23:07:38 PDT
