From: pellegrini (pellegrini_at_ill.fr)
Date: Thu Aug 27 2009 - 04:06:48 CDT
I know that this kind of questions has already been posted here but I
did not really understand the answers ...
I have a structure made of a protein, a sugar and some calciums ions.
For the protein and the calcium no problem
for generating the PSF but I went into troubles with the sugar because
its building block is not parametrized. I managed
to get the parameters for the sugar using glycam but those parameters
are in Amber format.
So I end up with the following settings:
-PSF file for protein and calcium
-top and crd files for the sugar
would you have any idea about how to setup a simulation (e.g. a
minimization) out of this ?
Is there a simple way to get a PSF file for the sugar out of the amber
thank you very much for your help
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