Re: [gmx-users] gmxcheck and GROMOS96 bonds

2013-01-08 Thread Reid Van Lehn
Will do, thank you for fast response! Reid On Tue, Jan 8, 2013 at 11:11 AM, Justin Lemkul wrote: > > > On 1/8/13 10:56 AM, Reid Van Lehn wrote: > >> Hi Gromacs users, >> >> I was using gmxcheck to check a simple trajectory of surfactants, and get >> many errors of the type "Distance between ato

Re: [gmx-users] gmxcheck and GROMOS96 bonds

2013-01-08 Thread Justin Lemkul
On 1/8/13 10:56 AM, Reid Van Lehn wrote: Hi Gromacs users, I was using gmxcheck to check a simple trajectory of surfactants, and get many errors of the type "Distance between atoms X and Y is 0.153, should be 0.023" where the actual distance is always approximately correct and the "correct" va