Re: [gmx-users] intermolecular contributions/building up a long polymer chain

2010-06-03 Thread Justin A. Lemkul
Moeed wrote: Dear gmx users, Please kindly help me with the following issues: I am trying to extract interaction energies (non bonded) between hexane molecules (vdw and electrostatics). I have used rerun program to exclude intramolecular non bonded terms and here is the breakdown of energy

[gmx-users] intermolecular contributions/building up a long polymer chain

2010-06-03 Thread Moeed
Dear gmx users, Please kindly help me with the following issues: I am trying to extract interaction energies (non bonded) between hexane molecules (vdw and electrostatics). I have used rerun program to exclude intramolecular non bonded terms and here is the breakdown of energy from g_energy. Howe