RE: [gmx-users] Hessian Matrix Doubt

From: Anirban Ghosh <[EMAIL PROTECTED]> Reply-To: Discussion list for GROMACS users To: GROMACS Subject: [gmx-users] Hessian Matrix Doubt Date: Fri, 3 Aug 2007 06:55:34 +0100 (BST) Hi All, I want to go for Normal Mode Analysis of a protein in water. I have done the energy minimizat

Re: [gmx-users] Hessian Matrix Doubt

Anirban Ghosh wrote: Hi All, I want to go for Normal Mode Analysis of a protein in water. I have done the energy minimization of the protein with water molecules. But now I want to calculate the Hessian Matrix with only the protein molecules and not the water molecules. Please tell me how to d

[gmx-users] Hessian Matrix Doubt

Hi All, I want to go for Normal Mode Analysis of a protein in water. I have done the energy minimization of the protein with water molecules. But now I want to calculate the Hessian Matrix with only the protein molecules and not the water molecules. Please tell me how to do that. Is there any op