Blame gromacs-dssp-path.patch
|
Dominik Mierzejewski |
3af74f4 |
diff -up gromacs-a7093a73959458a1f4aa4e384104a5515a4f2863/src/gromacs/gmxana/gmx_do_dssp.cpp.dssp gromacs-a7093a73959458a1f4aa4e384104a5515a4f2863/src/gromacs/gmxana/gmx_do_dssp.cpp
|
|
Dominik Mierzejewski |
3af74f4 |
--- gromacs-a7093a73959458a1f4aa4e384104a5515a4f2863/src/gromacs/gmxana/gmx_do_dssp.cpp.dssp 2016-02-23 22:23:54.000000000 +0100
|
|
Dominik Mierzejewski |
3af74f4 |
+++ gromacs-a7093a73959458a1f4aa4e384104a5515a4f2863/src/gromacs/gmxana/gmx_do_dssp.cpp 2016-02-24 11:06:12.982692034 +0100
|
|
Dominik Mierzejewski |
3af74f4 |
@@ -445,7 +445,7 @@ int gmx_do_dssp(int argc, char *argv[])
|
|
 |
91cb199 |
"calling the dssp program. If you do not have the dssp program,",
|
|
 |
91cb199 |
"get it from http://swift.cmbi.ru.nl/gv/dssp. [THISMODULE] assumes ",
|
|
 |
91cb199 |
"that the dssp executable is located in ",
|
|
 |
91cb199 |
- "[TT]/usr/local/bin/dssp[tt]. If this is not the case, then you should",
|
|
 |
91cb199 |
+ "[TT]/usr/bin/mkdssp[tt]. If this is not the case, then you should",
|
|
 |
91cb199 |
"set an environment variable [TT]DSSP[tt] pointing to the dssp",
|
|
 |
91cb199 |
"executable, e.g.: [PAR]",
|
|
 |
91cb199 |
"[TT]setenv DSSP /opt/dssp/bin/dssp[tt][PAR]",
|
|
Dominik Mierzejewski |
3af74f4 |
@@ -590,7 +590,7 @@ int gmx_do_dssp(int argc, char *argv[])
|
|
 |
91cb199 |
|
|
 |
91cb199 |
if ((dptr = getenv("DSSP")) == NULL)
|
|
 |
91cb199 |
{
|
|
 |
91cb199 |
- dptr = "/usr/local/bin/dssp";
|
|
 |
91cb199 |
+ dptr = "/usr/bin/mkdssp";
|
|
 |
91cb199 |
}
|
|
 |
91cb199 |
if (!gmx_fexist(dptr))
|
|
 |
91cb199 |
{
|