Migrated to the latest automake & libtool releases/prereleases, with all

[alexxy/gromacs.git] / share / top / ffgmxbon.itp

diff --git a/share/top/ffgmxbon.itp b/share/top/ffgmxbon.itp
index 193413c9c95daf9febd9fac6cdc5aa1e9f4f3ea9..a345c9483c5106d101d9c0e00256427ade8d7546 100644 (file)
--- a/share/top/ffgmxbon.itp
+++ b/share/top/ffgmxbon.itp
@@ -713,20 +713,18 @@
    NZ    C    1   180.000      33.472      2
    NE    C    1   180.000      33.472      2
    NE  CH2    1   180.000       0.418      6
-; two dihedral potentials are needed over a P-OA or P-OS bond,
-; put the parameters in your topology manually
-;   P   OA    1     0.000       1.046      3
-;   P   OA    1     0.000       3.138      2
+    P   OA    1     0.000       1.046      3
+    P   OA    1     0.000       3.138      2
    OS  CH2    1     0.000       3.766      3
-;  OS    P    1     0.000       1.046      3
-;  OS    P    1     0.000       3.138      2
+   OS    P    1     0.000       1.046      3
+   OS    P    1     0.000       3.138      2
   CS1   OA    1     0.000       1.255      3
   CS1 NR5*    1     0.000       0.000      2
   CS1  CH2    1     0.000       5.858      3
   CS1   OS    1     0.000       3.766      3
-; CS1  CS1    1     0.000       5.858      3
-; CS1  CS1    1     0.000       0.418      2
-; CS1  CS1    1     0.000       2.092      2
+  CS1  CS1    1     0.000       5.858      3
+  CS1  CS1    1     0.000       0.418      2
+  CS1  CS1    1     0.000       2.092      2
   NR6   CB    1   180.000      33.472      2
   NR6  CHE    1   180.000      33.472      2
  NR6*  CH2    1     0.000       0.418      6
@@ -735,9 +733,9 @@
  NR6*  CS1    1     0.000       0.000      2
   CS2   OA    1     0.000       1.255      3
   CS2   OS    1     0.000       3.766      3
-; CS2  CS1    1     0.000       5.858      3
-; CS2  CS1    1     0.000       0.418      2
-; CS2  CS1    1     0.000       2.092      2
+  CS2  CS1    1     0.000       5.858      3
+  CS2  CS1    1     0.000       0.418      2
+  CS2  CS1    1     0.000       2.092      2
    SI  CH1    1     0.000       5.858      3
    SI   OS    1     0.000       3.766      3
     C  CP2    1     0.000       0.418      6