[Fwd: Re: [gmx-users] Coredump when using PME]

[David van der Spoel]

David van der Spoel wrote:

>
>
> -------- Original Message --------
> Subject:     Re: [gmx-users] Coredump when using PME
> Date:     Tue, 27 Dec 2005 21:46:08 -0500
> From:     Robert Bjornson <rbjornson at gmail.com>
> Reply-To:     bjornson at aya.yale.edu
> To:     David van der Spoel <spoel at xray.bmc.uu.se>
> CC:     jsachs at mail.csb.yale.edu <jsachs at mail.csb.yale.edu>
> References: 
> <49ad48320512271422u2cc9c9few5363feb439ee769c at mail.gmail.com> 
> <43B1D2F4.6060307 at xray.bmc.uu.se>
>
>
>
> Hi David,
>
> thanks for your reply to my question.
> Am I right in assuming that you mean I should vary the parameters dt 
> and emstep?

no just verify that your starting structure is correct or do another EM 
round.



-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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