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## apbs-users

 [Apbs-users] How to assign the parial charge in pqr file to grid points? From: ZhouTing - 2007-03-20 10:20:47 Attachments: Message as HTML ```Hi all,How does APBS assign the atom partial charge to the grid points near the atom? I find that it should have something with the 8 points near the atom.Could someone explain some detail?Thank youBest Ting _________________________________________________________________ 通过 Live.com 查看资讯、娱乐信息和您关心的其他信息！ http://www.live.com/getstarted.aspx```
 Re: [Apbs-users] How to assign the parial charge in pqr file to grid points? From: Nathan Baker - 2007-03-21 01:22:48 ```Hello -- APBS uses a series of B-splines based on your choice of the "chgm =20 " keyword in the input file. This is described in the =20 documentation . Basically charge is assigned based on =20 distance to nearest (linear spline), nearest and next-nearest (cubic =20 spline), or nearest and next-nearest and next-next-nearest (quintic =20 spline) following the appropriate spline polynomial definition (see =20 http://en.wikipedia.org/wiki/B-spline). Thanks, Nathan On Mar 20, 2007, at 5:20 AM, ZhouTing wrote: > Hi all, > > How does APBS assign the atom partial charge to the grid points =20 > near the atom? I find that it should have something with the 8 =20 > points near the atom. > > Could someone explain some detail? > > Thank you > > Best > > Ting > > =E9=80=9A=E8=BF=87 Windows Live Spaces = =E4=B8=8E=E6=9C=8B=E5=8F=8B=E8=BD=BB=E6=9D=BE=E5=85=B1=E4=BA=AB=E6=82=A8=E7= =9A=84=E7=94=9F=E6=B4=BB=E3=80=82 =E7=AB=8B=20 > =E5=8D=B3=E5=B0=9D=E8=AF=95=EF=BC=81 > ----------------------------------------------------------------------=20= > --- > Take Surveys. Earn Cash. Influence the Future of IT > Join SourceForge.net's Techsay panel and you'll get the chance to =20 > share your > opinions on IT & business topics through brief surveys-and earn cash > http://www.techsay.com/default.php?=20 > page=3Djoin.php&p=3Dsourceforge&CID=3DDEVDEV____________________________= ____=20 > _______________ > apbs-users mailing list > apbs-users@... > https://lists.sourceforge.net/lists/listinfo/apbs-users -- Associate Professor, Dept. of Biochemistry and Molecular Biophysics Center for Computational Biology, Washington University in St. Louis Web: http://cholla.wustl.edu/ ```