[gmx-users] Re: The problem of converting CGenff parameters to those of Gromacs

[Peter C. Lai]

Just to let you know, charge information in ffnonbonded.itp is ignored. 
pdb2gmx reads charges from the corresponding .rtp file when writing the .gro
file.

On 2012-10-16 06:47:57AM -0700, spin wrote:
> Hi, Peter and David,
> 
> Thank you for your help! I have solve it by David's script.
> 
> Qing Liu
> 
> 
> 
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Peter C. Lai			| University of Alabama-Birmingham
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