AMBER Archive (2009)

Subject: Re: [AMBER] vertex atom mismatch

From: Guillermo Mulliert Carlín (Guillermo.Mulliert_at_lcm3b.uhp-nancy.fr)
Date: Fri Jul 31 2009 - 09:33:46 CDT

Hello,

On Fri, 31 Jul 2009, Clark, Tiffany D wrote:

|> Hello AMBER Gurus ,
|>
|> I am attempting an mm_pbsa analysis and have come upon the 'vertex atom
|> mismatch' problem. I noticed that several other people have run into this
|> same problem though I have yet to find a solution. I tried changing the box
|> parameters though this has not yielded any success as the problem persists.
|> Following the vertex atom mismatch I have "No skew or curtosis when zero
|> variance in moment" which has been repeated ~25 times.
|>
|> Thank you for any suggestions which you are willing to offer.

         somewhere in the "Amber Mailing List Archive" I found that vertex atom
mismatch was an error from molsurf. Try to put MS to 0 in your script. Hope
this help

                                                 Regards

                                                 Guillermo Mulliert

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