/*
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+ *
* This source code is part of
- *
+ *
* G R O M A C S
- *
+ *
* GROningen MAchine for Chemical Simulations
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+ *
* VERSION 3.2.0
* Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* of the License, or (at your option) any later version.
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+ *
* If you want to redistribute modifications, please consider that
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*/
/* stuff for pdb2gmx */
-extern void do_vsites(int nrtp, t_restp rtp[], gpp_atomtype_t atype,
- t_atoms *at, t_symtab *symtab, rvec *x[],
- t_params plist[], int *dummy_type[], int *cgnr[],
- real mHmult, gmx_bool bVSiteAromatics,
- const char *ffdir);
+extern void do_vsites(int nrtp, t_restp rtp[], gpp_atomtype_t atype,
+ t_atoms *at, t_symtab *symtab, rvec *x[],
+ t_params plist[], int *dummy_type[], int *cgnr[],
+ real mHmult, gmx_bool bVSiteAromatics,
+ const char *ffdir);
extern void do_h_mass(t_params *psb, int vsite_type[], t_atoms *at, real mHmult,
- gmx_bool bDeuterate);
+ gmx_bool bDeuterate);
-#endif /* _gen_vsite_h */
+#endif /* _gen_vsite_h */