Re: [gmx-users] sugar puckering

2016-04-21 Thread Téletchéa Stéphane
Le 21/04/2016 04:24, bharat gupta a écrit : Dear Gmx Users, I am interested in calculating cremer-pople parameters for a trisachharide ligand from its simulation docked with a protein. I found one tool g_puckering for calculating the parameters but it was written for Gromacs version 4.0.x and I

Re: [gmx-users] sugar puckering

2016-04-20 Thread bharat gupta
Dear Gmx Users, I am interested in calculating cremer-pople parameters for a trisachharide ligand from its simulation docked with a protein. I found one tool g_puckering for calculating the parameters but it was written for Gromacs version 4.0.x and I am using version 5.0.4. I am not able to compi