Does anyone know the reference for the parameters for urea in the urea.itp file
(found in the top directory)?
Thanks,
Ronen
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[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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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?
Ronen
-- Original message --
From: David van der Spoel [EMAIL PROTECTED]
[EMAIL PROTECTED] wrote:
[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 --
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