Re: [gmx-users] Interchain Disulfide Bond

2012-02-20 Thread Mark Abraham
On 21/02/2012 6:20 AM, jneeraj wrote: Hello, I am trying to perform a MD simulation of a protein consisting of two chains. These two chains are connected via single disulfide bond. These two chains are separated by TER record in the input pdb file. I am using charmm27 force-field. The steps that

[gmx-users] Interchain Disulfide Bond

2012-02-20 Thread jneeraj
Hello, I am trying to perform a MD simulation of a protein consisting of two chains. These two chains are connected via single disulfide bond. These two chains are separated by TER record in the input pdb file. I am using charmm27 force-field. The steps that I am following are: pdb2gmx –ignh –

[gmx-users] Interchain Disulfide Bond

2012-02-20 Thread jneeraj
Hello, I am trying to perform a MD simulation of a protein consisting of two chains. These two chains are connected via single disulfide bond. These two chains are separated by TER record in the input pdb file. I am using charmm27 force-field. The steps that I am following are: pdb2gmx –ignh –ss