Re: [gmx-users] energy minimization of a bilayer

2007-11-23 Thread Mark Abraham
Ananya Debnath wrote: Hi, I am a recent user of Gromacs. I tried to make initial configuration of a bilayer in united atom model having Btmac, Stearyl alcohol and water with packmol and then energy minimization with gromacs. Initially I made a bilayer with gromos87 forcefield, ffgmx.itp, and tha

[gmx-users] energy minimization of a bilayer

2007-11-23 Thread Ananya Debnath
Hi, I am a recent user of Gromacs. I tried to make initial configuration of a bilayer in united atom model having Btmac, Stearyl alcohol and water with packmol and then energy minimization with gromacs. Initially I made a bilayer with gromos87 forcefield, ffgmx.itp, and that worked fine. With same