*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
int *nvec, int **eignr,
rvec ***eigvec, real **eigval)
{
- t_trnheader head;
- int i, snew_size;
- t_fileio *status;
- rvec *x;
- matrix box;
- gmx_bool bOK;
+ t_trnheader head;
+ int i, snew_size;
+ struct t_fileio *status;
+ rvec *x;
+ matrix box;
+ gmx_bool bOK;
*bDMR = FALSE;
int WriteXref, rvec *xref, gmx_bool bDMR,
rvec xav[], gmx_bool bDMA, real eigval[])
{
- t_fileio *trnout;
- int ndim, i, j, d, vec;
- matrix zerobox;
- rvec *x;
+ struct t_fileio *trnout;
+ int ndim, i, j, d, vec;
+ matrix zerobox;
+ rvec *x;
ndim = natoms*DIM;
clear_mat(zerobox);
(WriteXref == eWXR_YES) ? "reference, " : "",
begin, end, trnname);
- trnout = open_tpx(trnname, "w");
+ trnout = open_trn(trnname, "w");
if (WriteXref == eWXR_YES)
{
/* misuse lambda: 0/1 mass weighted fit no/yes */