Re: [gmx-users] Methanol SOL :Number of solventmolecules = 0

2007-12-12 Thread Xavier Periole
Stop the minimization at 100 steps and then equilibrate. If the problem persists check your topology. XAvier Dear Dr. Xavier Periole, Thank you for guiding me through. I could solve the problem of settin

Re: [gmx-users] Methanol SOL :Number of solventmolecules = 0

2007-12-12 Thread sharada
Dear Dr. Xavier Periole, Thank you for guiding me through. I could solve the problem of setting up the system for minimization. However When started minimization run for 2000 steps with ste

Re: Re: Fw: Re: [gmx-users] Methanol SOL :Number of solventmolecules = 0

2007-12-11 Thread sharada
Dear Dr. Xavier Periole, Thank you for guiding me through. I could solve the problem of setting up the system for minimization. However When started minimization run for 2000 steps with steepest descent , I encountered yet another problem. which is as follows .. St