subject:"\[gmx\-users\] solvent box outside protein"

Re: [gmx-users] solvent box outside protein

2009-03-30 Thread Tsjerk Wassenaar

No, not this one again! Why not search the archives? Or browse the wiki? Or follow a more extensive tutorial on Gromacs: http://nmr.chem.uu.nl/~tsjerk/course/molmod/ ? Tsjerk 2009/3/30 Halie Shah : > > Hi, > > I just finished my energy minimization run on GROMACS 4.0.4 for my > ligand/protein co

[gmx-users] solvent box outside protein

2009-03-30 Thread Halie Shah

Hi, I just finished my energy minimization run on GROMACS 4.0.4 for my ligand/protein combination. I opened the minimized protein pdb and the original pdb in VMD to visualize, but saw that my minimized protein was outside the solvent box I had made. How should this be corrected? Below is what I sp