[gmx-users] non-matching atom names in CG simulations

2015-03-25 Thread Carlos Navarro Retamal
Dear gromacs users, I’m planing to perform several CG simulations of different biological membranes in the presence of an specific protein. In order to create the membranes, i’m currently using the insane script to make different kind of mixture (POPC alone, POPC-MGDG 5:5, POPC-SQDG 5:5, and

Re: [gmx-users] non-matching atom names in CG simulations

2015-03-25 Thread Carlos Navarro Retamal
Hi Tsjerk, First of all thanks for your quick and kind reply. So you say that instead of using: lipidsx[moltype] = (0, .5, 0, 0, .5, 0, 0, .5, 0,0, .5, 0,0,0, 0,0,0,0, .5, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1) lipidsy[moltype] = (0,