[EMAIL PROTECTED] wrote:
Thanks. I am looking at other models as well, but was wondering how the numbers
in urea.itp were obtained. What type of properties they were parametrized for?
none. just copied from the gromos 87 ff.
Ronen
-------------- Original message ----------------------
From: David van der Spoel <[EMAIL PROTECTED]>
[EMAIL PROTECTED] wrote:
Does anyone know the reference for the parameters for urea in the urea.itp
file (found in the top directory)?
Please don't use it as is. Check literature for better models.
Thanks,
Ronen
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________________________________________________________________________
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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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