Did you noticed that the number of TIP5P water molecules is about half
of what's needed to fill the box. I think that's why your box
collapsed.
JW
On 4/23/07, kitty ji [EMAIL PROTECTED] wrote:
Dear GMX user,
Explicated model of Poly (vinyl methyl ether) was built with ether
parameters
kitty ji wrote:
Dear GMX user,
Explicated model of Poly (vinyl methyl ether) was built with ether
parameters in OPLS Force Field. The density and radius of gyration of
PVME melts fit experimental value well. And then it was solvated in Tip5p.
In experiment, PVME should solvate
Dear GMX user,
Explicated model of Poly (vinyl methyl ether) was built with ether parameters
in OPLS Force Field. The density and radius of gyration of PVME melts fit
experimental value well. And then it was solvated in Tip5p.
In experiment, PVME should solvate in water well in ~300k.
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