Re: [gmx-users] GROMPP replaces lipid atom coordinates with these of water molecules

2012-07-23 Thread Justin Lemkul
On 7/23/12 9:54 AM, Christian Blouin wrote: Hello, I have been running a simple simulation where I replace 150 water molecules in a waterbox with a lipid called DPC to create micelles. This simulation is working fine and I'm getting decent micelles fairly quickly. I am now trying to do

[gmx-users] GROMPP replaces lipid atom coordinates with these of water molecules

2012-07-23 Thread Christian Blouin
Hello, I have been running a simple simulation where I replace 150 water molecules in a waterbox with a lipid called DPC to create micelles. This simulation is working fine and I'm getting decent micelles fairly quickly. I am now trying to do the same, but with a small peptide in the simula