subject:"\[gmx\-users\] How to install g_fg2cg"

Re: [gmx-users] How to install g_fg2cg

2017-04-12 Thread Sudip Das

Hi Peter, Thanks for your useful inputs. Regards, Sudip On Wed, Apr 12, 2017 at 2:42 PM, Peter Kroon wrote: > Hi Sudip, > > > as far as I know, fg2cg is extremely old and no longer maintained. I > would suggest you look at other tools. In particular, Backwards [1] and >

Re: [gmx-users] How to install g_fg2cg

2017-04-12 Thread Peter Kroon

Hi Sudip, as far as I know, fg2cg is extremely old and no longer maintained. I would suggest you look at other tools. In particular, Backwards [1] and pyCGtool [2] spring to mind. Peter [1] http://cgmartini.nl/index.php/tools2/resolution-transformation [2]

[gmx-users] How to install g_fg2cg

2017-04-12 Thread Sudip Das

Dear All, I have atomistic (fine-grained) coordinate for a molecule. I also have all atom as well as coarse-grained (CG) topology parameters for that molecule. Now to perform a CG simulation run for the molecule, the only thing that I need to have is a CG coordinate file for this molecule.