Re: [gmx-users] charm in gromacs

2012-05-28 Thread Mark Abraham
On 18/05/2012 8:02 PM, francesco oteri wrote: Hi, at the link http://dl.dropbox.com/u/40545409/charmm2itp.tgz you can find the files I am using Files ffcharmmnb.itp ffcharmmbon.itp have been generated through: convert_charmm_to_gromacs.pl http://convert_charmm_to_gromacs.pl/

Re: [gmx-users] charm in gromacs

2012-05-18 Thread Mark Abraham
On 18/05/2012 2:52 AM, francesco oteri wrote: Dear gromacs users, I am trying to port a set of charm parameter in gromacs. I am using the script convert_charmm_to_gromacs.pl http://convert_charmm_to_gromacs.pl contained in the file charmm_to_gromacs.tgz

Re: [gmx-users] charm in gromacs

2012-05-18 Thread francesco oteri
Hi, at the link http://dl.dropbox.com/u/40545409/charmm2itp.tgz you can find the files I am using Files ffcharmmnb.itp ffcharmmbon.itp have been generated through: convert_charmm_to_gromacs.pl par_all36_carb.prm while carbohydrates.rtp and carbohydrates.rtp through a script of mine. Now, if

[gmx-users] charm in gromacs

2012-05-17 Thread francesco oteri
Dear gromacs users, I am trying to port a set of charm parameter in gromacs. I am using the script convert_charmm_to_gromacs.pl contained in the file charmm_to_gromacs.tgz ( http://www.gromacs.org/@api/deki/files/76/=charmm_to_gromacs.tgz). Regarding dihedrals, the entry regarding the file says