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ComputeGBISser.h
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ComputeGBISser.h
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/**
*** Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by
*** The Board of Trustees of the University of Illinois.
*** All rights reserved.
**/
/*******************************************************************************
*******************************************************************************
This serial version of GBIS is out of date and hasn't been vetted;
it is to be used as a way of testing new implicit solvent models
since all atomic coordinates are gathered into a single Compute.
*******************************************************************************
******************************************************************************/
#ifndef COMPUTEGBIS_H
#define COMPUTEGBIS_H
#include "ComputeHomePatches.h"
#include "NamdTypes.h"
class SubmitReduction;
class GBISForceMsg;
class ComputeGBISAtom;
class ComputeGBISser : public ComputeHomePatches {
public:
ComputeGBISser(ComputeID c);
virtual ~ComputeGBISser();
void doWork();
void saveResults(GBISForceMsg *);
private:
SubmitReduction *reduction;
};
#endif