Hello Stefano Pieraccini,
Thanks for your information.i will try.
Thanks..Anand
----- Original Message -----
From: Stefano.Pieraccini.unimi.it
Date: Friday, July 22, 2005 10:37 am
Subject: Re: AMBER: Atom type :Si
> It is possible to insert the atom type and the parameters in the
> parm file, or (it may be better) to create an integrative filke
> with atom type and parameters with the same format of the parm file
> and load it after the parm99 file when you use leap with the
> command "loadamberparams filename_of_parameters_file". Pay
> attention to the format (parm99.dat can be a good template for
> writing the file). For parameters calculation see the maual
> (appendix C for amber7 manual). Results obtained with new
> parameters on compounds that are not usually model with the force
> field should be evaluated with care.
>
> Stefano Pieraccini
>
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Received on Fri Jul 22 2005 - 20:53:01 PDT
