Fixes to methanol and mixed demos. Issue ID #669

[alexxy/gromacs.git] / share / tutor / methanol / methanol.itp

diff --git a/share/tutor/methanol/methanol.itp b/share/tutor/methanol/methanol.itp
index e31e651f8ca0ed85875849321bcd18f2afca9874..61b545b1d3c1a2041c4a962580928ce9599ad399 100644 (file)
--- a/share/tutor/methanol/methanol.itp
+++ b/share/tutor/methanol/methanol.itp
@@ -2,9 +2,9 @@
 
 [ atomtypes ]
 ;   type      mass    charge    ptype       c6            c12
-    OMET    15.999    -0.69     A      2.6169e-3      2.5231e-6
+    OMet    15.999    -0.69     A      2.6169e-3      2.5231e-6
       OW    15.999    -0.82     A      2.6170e-3      2.6330e-6
-    CMET    15.035     0.29     A      8.8758e-3     17.8426e-6
+    CMet    15.035     0.29     A      8.8758e-3     17.8426e-6
        H     1.008     0.4      A      0.0            0.0
       HW     1.008     0.41     A      0.0            0.0
 #endif
@@ -16,12 +16,12 @@ Methanol        2
 [ atoms ]
 ;   nr  type    resnr   residu  atom    cgnr    charge mass
 #ifdef _FF_GROMOS96
-1       CMET     1       MeOH    Me1     1        0.176 15.035   
-2       OMET     1       MeOH    O2      1       -0.574 15.999 
+1       CMet     1       MeOH    Me1     1        0.176 15.035   
+2       OMet     1       MeOH    O2      1       -0.574 15.999 
 3       H        1       MeOH    H3      1        0.398  1.008 
 #else
-1       CMET     1       MeOH    Me1     1        0.29  15.035
-2       OMET     1       MeOH    O2      1       -0.69  15.999
+1       CMet     1       MeOH    Me1     1        0.29  15.035
+2       OMet     1       MeOH    O2      1       -0.69  15.999
 3       H        1       MeOH    H3      1        0.40   1.008
 #endif