Re: [Apbs-users] write pot dx stem
Biomolecular electrostatics software
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From: Nathan B. <ba...@bi...> - 2005-10-05 13:26:54
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Hello -- The only way to access the coarse grid maps right now is through manual focusing calculations (mg-manual). However, there has been other requests for access to these maps in automatic focusing calculations, so we're considering adding support for it. Thanks, Nathan On 10/4/2005 10:22 AM, Gernot Kieseritzky wrote: > Hi there! > Did I get this right: The command "write pot dx stem" outputs the > elecotrostatic potential mapped onto the fine grid after the last > focussing step? Is it possible then to access the electrostatic > potential from the coarse grained grids during an automatic focussing > calculation? I'd like to know the contribution of a specific site to the > electrostatic potential on every point (not only for the close region > around it) within the protein volume. TIA! > > Greetings, > Gernot Kieseritzky > _______________________________________________ > apbs-users mailing list > apb...@ch... > http://cholla.wustl.edu/mailman/listinfo/apbs-users -- Assistant Professor, Dept. of Biochemistry and Molecular Biophysics Center for Computational Biology, Washington University in St. Louis Web: http://cholla.wustl.edu/ |