biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
|
inline
| side by side
Remove .tpa, .tpb, .tpx, .trj files. Part of #1500.
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxana
/
gmx_dipoles.cpp
diff --git
a/src/gromacs/gmxana/gmx_dipoles.cpp
b/src/gromacs/gmxana/gmx_dipoles.cpp
index 569954d341f676fd0911662054a20ba1a7fe34a9..68e338fe04be79a85f0791000612763be85e6277 100644
(file)
--- a/
src/gromacs/gmxana/gmx_dipoles.cpp
+++ b/
src/gromacs/gmxana/gmx_dipoles.cpp
@@
-1590,7
+1590,7
@@
int gmx_dipoles(int argc, char *argv[])
t_filenm fnm[] = {
{ efEDR, "-en", NULL, ffOPTRD },
{ efTRX, "-f", NULL, ffREAD },
t_filenm fnm[] = {
{ efEDR, "-en", NULL, ffOPTRD },
{ efTRX, "-f", NULL, ffREAD },
- { efTP
X
, NULL, NULL, ffREAD },
+ { efTP
R
, NULL, NULL, ffREAD },
{ efNDX, NULL, NULL, ffOPTRD },
{ efXVG, "-o", "Mtot", ffWRITE },
{ efXVG, "-eps", "epsilon", ffWRITE },
{ efNDX, NULL, NULL, ffOPTRD },
{ efXVG, "-o", "Mtot", ffWRITE },
{ efXVG, "-eps", "epsilon", ffWRITE },
@@
-1664,7
+1664,7
@@
int gmx_dipoles(int argc, char *argv[])
}
snew(top, 1);
}
snew(top, 1);
- ePBC = read_tpx_top(ftp2fn(efTP
X
, NFILE, fnm), NULL, box,
+ ePBC = read_tpx_top(ftp2fn(efTP
R
, NFILE, fnm), NULL, box,
&natoms, NULL, NULL, NULL, top);
snew(gnx, ncos);
&natoms, NULL, NULL, NULL, top);
snew(gnx, ncos);