Justin and Mark,
Thank you so very much for your time and help. Thank you kindly.
Andrew
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Plea
On 8/03/2012 12:55 PM, Andrew DeYoung wrote:
Hi,
I am running an NVT simulation involving a periodic molecule, which has
bonds that cross the boundaries of the simulation box. So, I am using
periodic_molecules = yes in my .mdp file. I am also using the following
cut-offs in my .mdp file:
vdwt
Andrew DeYoung wrote:
Hi,
I am running an NVT simulation involving a periodic molecule, which has
bonds that cross the boundaries of the simulation box. So, I am using
periodic_molecules = yes in my .mdp file. I am also using the following
cut-offs in my .mdp file:
vdwtype = cut-off
coul
Hi,
I am running an NVT simulation involving a periodic molecule, which has
bonds that cross the boundaries of the simulation box. So, I am using
periodic_molecules = yes in my .mdp file. I am also using the following
cut-offs in my .mdp file:
vdwtype = cut-off
coulombtype = PME
rlist = 1.65
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