Merge release-4-6 into release-5-0

[alexxy/gromacs.git] / share / top / charmm27.ff / ffnonbonded.itp

diff --git a/share/top/charmm27.ff/ffnonbonded.itp b/share/top/charmm27.ff/ffnonbonded.itp
index d07e3cdf88ef4498fcd04bfa1785e4ed4556975e..82daff23322a6de758854c30aafb31d7b536a25e 100644 (file)
--- a/share/top/charmm27.ff/ffnonbonded.itp
+++ b/share/top/charmm27.ff/ffnonbonded.itp
@@ -133,10 +133,10 @@ OWT3      8       9.951400        -0.834  A       3.15058e-01     6.36386e-01     ; TIP3p O
 HWT3   1       4.032000        0.417   A       0.0     0.0     ; TIP3p H
 OWT4   8       9.951400        0.0     A       3.15365e-01     6.48520e-01     ; TIP4p O
 HWT4   1       4.032000        0.52    A       0.0     0.0     ; TIP4p H
-MWT4   0       0.000000        -1.04   A       0.0     0.0     ; TIP4p vsite
+MWT4   0       0.000000        -1.04   D       0.0     0.0     ; TIP4p vsite
 OWT5   8       9.951400        0.0     A       3.12000e-01     6.69440e-01     ; TIP5p O
 HWT5   1       4.032000        0.241   A       0.0     0.0     ; TIP5p H
-MWT5   0       0.000000        -0.241  A       0.0     0.0     ; TIP5p vsite
+MWT5   0       0.000000        -0.241  D       0.0     0.0     ; TIP5p vsite
 OW     8       9.951400        -0.82   A       3.16557e-01     6.50194e-01     ; SPC 0
 HW     1       4.032000        0.41    A       0.0     0.0; SPC H
 #else
@@ -144,10 +144,10 @@ OWT3      8       15.999400       -0.834  A       3.15058e-01     6.36386e-01     ; TIP3p O
 HWT3   1       1.008000        0.417   A       0.0     0.0     ; TIP3p H
 OWT4   8       15.999400       0.0     A       3.15365e-01     6.48520e-01     ; TIP4p O
 HWT4   1       1.008000        0.52    A       0.0     0.0     ; TIP4p H
-MWT4   0       0.000000        -1.04   A       0.0     0.0     ; TIP4p vsite
+MWT4   0       0.000000        -1.04   D       0.0     0.0     ; TIP4p vsite
 OWT5   8       15.999400       0.0     A       3.12000e-01     6.69440e-01     ; TIP5p O
 HWT5   1       1.008000        0.241   A       0.0     0.0     ; TIP5p H
-MWT5   0       0.000000        -0.241  A       0.0     0.0     ; TIP5p vsite
+MWT5   0       0.000000        -0.241  D       0.0     0.0     ; TIP5p vsite
 OW     8       15.999400       -0.82   A       3.16557e-01     6.50194e-01     ; SPC O
 HW     1       1.008000        0.41    A       0.0     0.0     ; SPC H
 #endif