[gmx-users] Re: Go-model Hamiltonian (Xavier Periole)
Xavier Periole
X.Periole at rug.nl
Wed Jan 16 22:01:31 CET 2008
On Wed, 16 Jan 2008 13:07:27 -0600
eddie mendel <pckboy at gmail.com> wrote:
> Hello. In the website server, I provide my
> email, some workid and submit the pdb file.
>
> A window appears, in which it says:
>
> *Go model built.
>
> Email will be sent to eduardo.mendez at usask.ca.
>
> Thank you for using MMTSB Web Services.
>
> *I have tried many different emails, but I dont get any thing in the email.
That might be due to many things. Did you contact "them" to find out
what the problem is? I am sure they would appreciate the info.
XAvier
>
> Eduardo
>
>
> I was planning to use CHARMM but I found a problem at a server that builds
>> the respective Go-model Hamiltonian from a pdb file
>
>
> I do not know anybody who as used a Go-model in GMX but it should not be
> so difficult using tabulated potentials!
>
>
>> > this is the website in case you are interested:
>> >http://mmtsb.scripps.edu/webservices/gomodel.html
>>
>
> What is wrong with the website server? Does it give a wrong "topology"?
> We have been using it for a peptide and that would be nice if you could
> detail the "bug".
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-----------------------------------------------------
XAvier Periole - PhD
NMR & Molecular Dynamics Group
University of Groningen
The Netherlands
http://md.chem.rug.nl/~periole
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