subject:"\[gmx\-users\] maining helix conformation"

Re: [gmx-users] maining helix conformation

2013-06-07 Thread Justin Lemkul

On 6/7/13 8:43 PM, Sanku M wrote: Hi, I have a pair of polypeptides which are generated as ideal helix. I want to carry out their assembly/dis-assembly simulation by maintaining the helicity of them. I wonder which of the methods for retaining helicity is better : 1. use a harmonic restrai

[gmx-users] maining helix conformation

2013-06-07 Thread Sanku M

Hi, I have a pair of polypeptides which are generated as ideal helix. I want to carry out their assembly/dis-assembly simulation by maintaining the helicity of them. I wonder which of the methods for retaining helicity is better : 1. use a harmonic restraints using [bonds] directive using type