Re: [gmx-users] harmonic restraints

2010-03-04 Thread XAvier Periole
It is not sure what you mean: if you wonder how it is done in Martini (explained in the paper) or if like to add some yourself. Regular bonds are generally used! On Mar 4, 2010, at 6:15, Ajeeta kaushiki wrote: Dear Sir I am doing a coarse grain MD of a membrane protein using Martini

Re: [gmx-users] harmonic restraints

2010-03-04 Thread Mark Abraham
On 4/03/2010 10:15 PM, Ajeeta kaushiki wrote: Dear Sir I am doing a coarse grain MD of a membrane protein using Martini force field and parameters . In course I am facing problem in understanding " how the harmonic restraints will be applied to mimic secondary structure H- Bonds of the atomic s

[gmx-users] harmonic restraints

2010-03-04 Thread Ajeeta kaushiki
Dear Sir I am doing a coarse grain MD of a membrane protein using Martini force field and parameters . In course I am facing problem in understanding " how the harmonic restraints will be applied to mimic secondary structure H- Bonds of the atomic structure to the coarse grain model to maintain s