Re: [gmx-users] Increasing sigma

2017-05-05 Thread Justin Lemkul
On 5/5/17 10:04 AM, Hannes Loeffler wrote: On Fri, 5 May 2017 15:09:09 +0200 Pallavi Banerjee wrote: I intend to perform thermodynamic integration of my system, but not to calculate the free energy. I want to gradually increase the radius of the carbon

Re: [gmx-users] Increasing sigma

2017-05-05 Thread Hannes Loeffler
On Fri, 5 May 2017 15:09:09 +0200 Pallavi Banerjee wrote: > I intend to perform thermodynamic integration of my system, but not to > calculate the free energy. I want to gradually increase the radius of > the carbon atoms of the alkyl chains of my lipid

[gmx-users] Increasing sigma

2017-05-05 Thread Pallavi Banerjee
Hi gromacs users, I intend to perform thermodynamic integration of my system, but not to calculate the free energy. I want to gradually increase the radius of the carbon atoms of the alkyl chains of my lipid molecules. This is because I could see a hole forming in my lipid bilayer along the edges