[gmx-users] OPLS modification between 3.3 and 3.3.1??

[chris.neale at utoronto.ca]

Hello, 
ffoplsaa.rtp has changed in the 3.3.1 release. However, there are no references
given and no special notification of this fact. I was wondering if anybody knows
the references for this change. 

Here is the difference between the two distributions:

diff ~/TEST/gromacs-3.3/share/top/ffoplsaa.rtp
~/TEST/gromacs-3.3.1/share/top/ffoplsaa.rtp
1008,1010c1008,1010
<     CD    CE    NZ   HZ1    dih_LYSH_chi5_C_C_N_H
<     CD    CE    NZ   HZ2    dih_LYSH_chi5_C_C_N_H
<     CD    CE    NZ   HZ3    dih_LYSH_chi5_C_C_N_H
---
>     CD    CE    NZ   HZ1    dih_LYS_chi5_C_C_N_H
>     CD    CE    NZ   HZ2    dih_LYS_chi5_C_C_N_H
>     CD    CE    NZ   HZ3    dih_LYS_chi5_C_C_N_H
1025c1025
<     CG    opls_210    0.0975    3
---
>     CG    opls_210    0.048     3
1028,1029c1028,1029
<     SD    opls_202   -0.435     4
<     CE    opls_209    0.0375    5
---
>     SD    opls_202   -0.335     4
>     CE    opls_209   -0.013     5
1325,1326c1325,1326
<      N    CA    CB    CG    dih_GLU_chi1_N_C_C_C
<     CG    CB    CA     C    dih_GLU_chi1_C_C_C_CO
---
>      N    CA    CB    CG    dih_TRP_chi1_N_C_C_C
>     CG    CB    CA     C    dih_TRP_chi1_C_C_C_CO