[gmx-users] (no subject)

[David van der Spoel]

On Thu, 2005-04-07 at 15:51 +0800, yonglin wrote:
> I don't known how to distribute charge for polymer in gromacs force field.Can I use Materials Studio to assign charge for polymer? Is there any principle for charge distribution in gromacs? Thanks in advance! 

No principles.
Whatever force field you use, you'll have to read the papers describing
them and follow the specifications for e.g. generating charges.

>  				
> 
> 　　　　　　　　yonglin
> 　　　　　　　　yonglin at iccas.ac.cn
> 　　　　　　　　　　2005-04-07
> 
> 
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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
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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