subject:"\[gmx\-users\] oplsaa.ff parameters"

Re: [gmx-users] oplsaa.ff parameters

2015-09-12 Thread Eric Smoll

Hello James, Thank you for taking the time to respond to both of my OPLS-AA questions. Your help is much appreciated. Best, Eric On Sat, Sep 12, 2015 at 8:35 AM, Barnett, James W wrote: > On Thu, 2015-09-10 at 15:04 -0600, Eric Smoll wrote: > > Hello GROMACS users, > > >

[gmx-users] oplsaa.ff parameters

2015-09-10 Thread Eric Smoll

Hello GROMACS users, oplsaa.ff/ffbonded.itp contains the following line: CT CT CT CT 3 2.92880 -1.46440 0.20920 -1.67360 0.0 0.0 ; hydrocarbon all-atom These values are at odds with those used provided in two publications listed in