Re: [gmx-users] Higher Density than Expected

2016-04-26 Thread Tsjerk Wassenaar
y value. Thanks again. > > > > > Date: Mon, 25 Apr 2016 17:13:01 -0400 > > From: Justin Lemkul <jalem...@vt.edu> > > To: gmx-us...@gromacs.org > > Subject: Re: [gmx-users] Higher Density than Expected > > Message-ID: <571e885d.2030...@vt.edu> > &

Re: [gmx-users] Higher Density than Expected

2016-04-26 Thread Christopher Schlicksup
: that the system is too inhomogeneous to pay that close attention to the absolute density value. Thanks again. > Date: Mon, 25 Apr 2016 17:13:01 -0400 > From: Justin Lemkul <jalem...@vt.edu> > To: gmx-us...@gromacs.org > Subject: Re: [gmx-users] Higher Density than Expected >

Re: [gmx-users] Higher Density than Expected

2016-04-25 Thread Justin Lemkul
On 4/25/16 5:09 PM, Christopher Schlicksup wrote: Hi, I am fairly new to simulation, and would like some input about whether I have set up Gromacs correcly. I am using version 5.0.4 with the CHARMM36-Jun2015 force field and the TIP3P water model. I am simulating a 35kDa protein in a

[gmx-users] Higher Density than Expected

2016-04-25 Thread Christopher Schlicksup
Hi, I am fairly new to simulation, and would like some input about whether I have set up Gromacs correcly. I am using version 5.0.4 with the CHARMM36-Jun2015 force field and the TIP3P water model. I am simulating a 35kDa protein in a dodecahedron box (-d 1.6) with 150mM NaCl plus neutralizing