Re: [gmx-users] RE: GROMACS96 proper dihetral parameters/OPLS

2012-11-22 Thread Justin Lemkul
files, I'm sure. -Justin Regards and thanks Junfang -Original Message- From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of Justin Lemkul Sent: 2012年11月22日 13:42 To: Discussion list for GROMACS users Subject: Re: [gmx-users] RE: GROMACS96

RE: [gmx-users] RE: GROMACS96 proper dihetral parameters/OPLS

2012-11-22 Thread Junfang.Zhang
[mailto:gmx-users-boun...@gromacs.org] On Behalf Of Justin Lemkul Sent: 2012年11月22日 13:42 To: Discussion list for GROMACS users Subject: Re: [gmx-users] RE: GROMACS96 proper dihetral parameters/OPLS On 11/21/12 9:56 PM, junfang.zh...@csiro.au wrote: > Dear GROMACS users > > I am just won

Re: [gmx-users] RE: GROMACS96 proper dihetral parameters/OPLS

2012-11-21 Thread Justin Lemkul
On 11/21/12 9:56 PM, junfang.zh...@csiro.au wrote: Dear GROMACS users I am just wondering if you could help with transferring the GROMACS96 proper dihetral parameters to the OPLS proper dihedral parameters or point me to some references. Gromos96 uses periodic dihedrals and OPLS uses Ryck