Re: [gmx-users] Convert .psf to .top

2012-12-26 Thread Kieu Thu Nguyen
Thank Francesco :-) On Wed, Dec 26, 2012 at 11:31 PM, francesco oteri wrote: > Hi, > in vmd there is a package called topotools ( > https://sites.google.com/site/akohlmey/software/topotools). > This package has the magic command writegmxtop. > Be carefull 'cause the created .top might miss some

Re: [gmx-users] Convert .psf to .top

2012-12-26 Thread francesco oteri
Hi, in vmd there is a package called topotools ( https://sites.google.com/site/akohlmey/software/topotools). This package has the magic command writegmxtop. Be carefull 'cause the created .top might miss some information (tipically angles and dihedrals) so I advice you to carefully check the .top f