[gmx-users] Re: The problem of converting CGenff parameters to those of Gromacs
Peter C. Lai
pcl at uab.edu
Tue Oct 16 17:05:46 CEST 2012
Just to let you know, charge information in ffnonbonded.itp is ignored.
pdb2gmx reads charges from the corresponding .rtp file when writing the .gro
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
> View this message in context: http://gromacs.5086.n6.nabble.com/The-problem-of-converting-CGenff-parameters-to-those-of-Gromacs-tp5002042p5002079.html
> Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
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Peter C. Lai | University of Alabama-Birmingham
Programmer/Analyst | KAUL 752A
Genetics, Div. of Research | 705 South 20th Street
pcl at uab.edu | Birmingham AL 35294-4461
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