Re: [gmx-users] Buckingham parameters to Lennard Jones Parameters

2018-09-27 Thread Dan Gil
Doesn't gmx sigeps do what you need? Dan On Wed, Sep 26, 2018 at 10:44 AM Sam David wrote: > What is your system? > Try to do a fitting and check. I have the same problem and still trying > > Good luck > Sam > > On Wed, Sep 26, 2018 at 9:08 AM sanjeet kumar singh ch16d012 < >

Re: [gmx-users] Buckingham parameters to Lennard Jones Parameters

2018-09-26 Thread Sam David
What is your system? Try to do a fitting and check. I have the same problem and still trying Good luck Sam On Wed, Sep 26, 2018 at 9:08 AM sanjeet kumar singh ch16d012 < ch16d...@smail.iitm.ac.in> wrote: > Hello Group, >Can anyone please tell me as how can i convert Buckingham >

[gmx-users] Buckingham parameters to Lennard Jones Parameters

2018-09-26 Thread sanjeet kumar singh ch16d012
Hello Group, Can anyone please tell me as how can i convert Buckingham potential parameters into Lennard Jones parameters? Thanks in advance. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! *