[gmx-users] force field parameters for CS+1

[parinald at unsl.edu.ar]

have you seen the OPLS force file?

C6=4*Epsilon*Sigma^6
C12=4*Epsilon*Sigma^12

hope this helps.



> Hi,
>
> The van Gunsteren group dealt with a problem of deriving the LJ
> parameters for  Cd ions based on Zn by scaling according to bond
> lengths, see Berweger et al., Proteins 41:299(2000). Maybe you can
> follow their method for Cs based on Na.
>
> Ran.
>
> srana at chem.iitb.ac.in wrote:
>
>>Hi all,
>>
>>it would be a great help  if someone  can help me with the force field
>>parameters for CS+1.It is very difficult for my part.
>>
>>if someone who had attempted this kind of problem earlier  could share
>> his
>>experience, which may help me too.
>>
>>thanking you all in advance,
>>
>>soumendra
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>
> --
> ------------------------------------------------------
> Ran Friedman
> Laser Laboratory for Fast Reactions in Biology
> Department of Biochemistry
> Faculty of Life Sciences
> Tel-Aviv University
> Tel. +972-3-6409824
> Fax. +972-3-6409875
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