fixed a missing comma and a typo in openmm_wrapper

diff --git a/src/kernel/md_openmm.h b/src/kernel/md_openmm.h
index 539b984962491a290c4231798a3e40858801c7c9..31c7f4e36103e857cfd26e44dce7c0687ccbef7c 100644 (file)
--- a/src/kernel/md_openmm.h
+++ b/src/kernel/md_openmm.h
@@ -1,3 +1,6 @@
+#ifndef _MD_OPENMM_H
+#define _MD_OPENMM_H
+
 double do_md_openmm(FILE *fplog,t_commrec *cr,int nfile,const t_filenm fnm[],
              const output_env_t oenv, bool bVerbose,bool bCompact,
              int nstglobalcomm,
@@ -14,3 +17,5 @@ double do_md_openmm(FILE *fplog,t_commrec *cr,int nfile,const t_filenm fnm[],
              const char *deviceOptions,
              unsigned long Flags,
              gmx_runtime_t *runtime);
+
+#endif // _MD_OPENMM_H

diff --git a/src/kernel/mdrun.c b/src/kernel/mdrun.c
index c288b1ea39937f3c91966f4c3da2889acb2803ff..26bd51f1ea3b899db5b950be72a8ec7bba40b210 100644 (file)
--- a/src/kernel/mdrun.c
+++ b/src/kernel/mdrun.c
@@ -467,7 +467,7 @@ int main(int argc,char *argv[])
     { "-resetstep", FALSE, etINT, {&resetstep},
       "HIDDENReset cycle counters after these many time steps" },
     { "-resethway", FALSE, etBOOL, {&bResetCountersHalfWay},
-      "HIDDENReset the cycle counters after half the number of steps or halfway -maxh" }
+      "HIDDENReset the cycle counters after half the number of steps or halfway -maxh" },
 #endif
 // args for both
     { "-maxh",   FALSE, etREAL, {&max_hours},

diff --git a/src/kernel/openmm_wrapper.cpp b/src/kernel/openmm_wrapper.cpp
index 088141c3fe62a21013cdc807dbf3ba0db392d82c..9ca3a2ca376e336a0c45d7f1b6e747abd98282a2 100644 (file)
--- a/src/kernel/openmm_wrapper.cpp
+++ b/src/kernel/openmm_wrapper.cpp
@@ -327,7 +327,7 @@ void checkGmxOptions(t_inputrec *ir, gmx_localtop_t *top)
     }
 
     /* Electroctstics */
-    if ((ir-> ir->coulombtype != eelPME) && (ir->coulombtype != eelRF) &&  (ir->coulombtype != eelEWALD))
+    if ((ir->coulombtype != eelPME) && (ir->coulombtype != eelRF) &&  (ir->coulombtype != eelEWALD))
     {
         gmx_fatal(FARGS,"** OpenMM Error ** : Unsupported method for electrostatics. "
             "Use NoCutoff (i.e. rcoulomb = rvdw = 0 ),Reaction-Field, Ewald or PME.\n");