RE: [gmx-users] Vacuum FF in Gromacs-4.0.5

2010-01-28 Thread Berk Hess
Hi, I removed this force field on purpose. The name is already very confusing. It is not a vacuum force field at all. It is an implicit solvent force field, but a quite bad one. It only scales down the charges on groups with net charge. If you really want to simulate a protein in vacuum do NOT

Re: [gmx-users] Vacuum FF in Gromacs-4.0.5

2010-01-28 Thread David van der Spoel
On 1/29/10 8:29 AM, Berk Hess wrote: Hi, I removed this force field on purpose. The name is already very confusing. It is not a vacuum force field at all. It is an implicit solvent force field, but a quite bad one. It only scales down the charges on groups with net charge. If you really want to