Dear Mark,
I found a simple(est) fix to this problem. Say in my case I was getting
error inf on atom 4281 ( Maximum force =inf on atom 4281)
What I did: In gro file for atom number 4281 I edited one of its
coordinate just 0.1nm that is 1 Angs e.g. 6.518 to 6.618 (I did for x,
That procedure can work. That it works in your case surprises me a little.
:-)
Mark
On Thu, May 2, 2013 at 11:25 AM, gromacs query gromacsqu...@gmail.comwrote:
Dear Mark,
I found a simple(est) fix to this problem. Say in my case I was getting
error inf on atom 4281 ( Maximum force =
Dear All,
I am using Charmm gui built membrane (120 x 2). But during minimization I
was getting error.
Potential Energy = 4.6809051e+19
Maximum force =inf on atom 4281
Norm of force =inf
(inf means? means infinite/NAN)
I removed the full lipid residue having
On Wed, May 1, 2013 at 4:20 PM, gromacs query gromacsqu...@gmail.comwrote:
Dear All,
I am using Charmm gui built membrane (120 x 2). But during minimization I
was getting error.
Potential Energy = 4.6809051e+19
Maximum force =inf on atom 4281
Norm of force =
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