Re: [gmx-users] dispersion corrections in an anisotropic system

2011-08-01 Thread Justin A. Lemkul
Zuzana Benkova wrote: Dear GROMACS users, my system is composed of a repulsive surface with chains grafted on it and other free chains above this immobilized system. I am hesitating whether to use dispersion corrections for the pressure and energy or not. Without these corrections the repul

Re: [gmx-users] dispersion corrections in an anisotropic system

2011-08-01 Thread wibke . sudholt
Dear Email Sender, Thank you very much for contacting me! Unfortunately, I am not available in the office at the moment and cannot respond to your email. I will be able to handle your request starting again Thursday, August 4, 2011. For all questions about CloudBroker and the CloudBroker Platfo

[gmx-users] dispersion corrections in an anisotropic system

2011-08-01 Thread Zuzana Benkova
Dear GROMACS users,my system is composed of a repulsive surface with chains grafted on it and other free chains above this immobilized system. I am hesitating whether to use dispersion corrections for the pressure and energy or not. Without these corrections the repulsion of the grafting surface in