Merge release-5-0 into master

[alexxy/gromacs.git] / src / gromacs / gmxana / gmx_rms.c

diff --git a/src/gromacs/gmxana/gmx_rms.c b/src/gromacs/gmxana/gmx_rms.c
index 9776ea4af52cba557fd44923083b6bd688add3fb..064eb5b61a0c91337355d070b0eec7acdf237e25 100644 (file)
--- a/src/gromacs/gmxana/gmx_rms.c
+++ b/src/gromacs/gmxana/gmx_rms.c
@@ -324,6 +324,8 @@ int gmx_rms(int argc, char *argv[])
     bPrev = (prev > 0);
     if (bPrev)
     {
+        fprintf(stderr, "WARNING: using option -prev with large trajectories will\n"
+                "         require a lot of memory and could lead to crashes\n");
         prev = abs(prev);
         if (freq != 1)
         {
@@ -1139,7 +1141,7 @@ int gmx_rms(int argc, char *argv[])
         if (bSplit && i > 0 &&
             fabs(time[bPrev ? freq*i : i]/output_env_get_time_factor(oenv)) < 1e-5)
         {
-            fprintf(fp, "&\n");
+            fprintf(fp, "%s\n", output_env_get_print_xvgr_codes(oenv) ? "&" : "");
         }
         fprintf(fp, "%12.7f", time[bPrev ? freq*i : i]);
         for (j = 0; (j < nrms); j++)
@@ -1181,7 +1183,7 @@ int gmx_rms(int argc, char *argv[])
         {
             if (bSplit && i > 0 && fabs(time[i]) < 1e-5)
             {
-                fprintf(fp, "&\n");
+                fprintf(fp, "%s\n", output_env_get_print_xvgr_codes(oenv) ? "&" : "");
             }
             fprintf(fp, "%12.7f", time[i]);
             for (j = 0; (j < nrms); j++)