Added TIP4P back into CHARMM27
authorMark Abraham <mark.j.abraham@gmail.com>
Tue, 31 Jul 2012 01:05:19 +0000 (11:05 +1000)
committerMark Abraham <mark.j.abraham@gmail.com>
Fri, 10 Aug 2012 01:27:58 +0000 (11:27 +1000)
I think Par erroneously removed this in 73b6d636a

Change-Id: Ie9f64636b1b28030ec86248649acad343b7c9a76

share/top/charmm27.ff/aminoacids.rtp

index 0b9978f21eec8d3910ed581913da9b1b500914d5..f3e84ae860bc4e5286a762ad06c5dd5d23de5b73 100644 (file)
        OH2     H1
        OH2     H2
 
+[ HO4 ]
+; TIP4P
+ [ atoms ]
+       OW      OWT4    0.00    0
+       HW1     HWT4    0.52    0
+       HW2     HWT4    0.52    0
+       MW      MWT4    -1.04   0
+ [ bonds ]
+       OW      HW1
+       OW      HW2
+
 [ SOD ]
  [ atoms ]
        SOD     SOD     1.00    0