Re: [gmx-users] genbox and martini, ethanol solvent

2010-09-20 Thread Justin A. Lemkul
Pim Frederix wrote: Dear users, I'm trying to create a box with a number (64) of small peptide molecules (diphenylalanine) solved in ethanol for a Gromacs run with the Martini coarse-grain force field. I've created the box with the solute with the genbox -ci command: genbox -ci FFMM_cg.pdb -nm

[gmx-users] genbox and martini, ethanol solvent

2010-09-20 Thread Pim Frederix
Dear users, I'm trying to create a box with a number (64) of small peptide molecules (diphenylalanine) solved in ethanol for a Gromacs run with the Martini coarse-grain force field. I've created the box with the solute with the genbox -ci command: genbox -ci FFMM_cg.pdb -nmol 64 -box 5 5 5 -o F