[gmx-users] Martini v2.2 and water freezing
Peter Kroon
p.c.kroon at rug.nl
Thu Aug 6 09:53:17 CEST 2015
Hi Khuong,
You're probably better off asking these Martini specific questions on
the cgmartini forum (cgmartini.nl).
To answer your questions:
1) Martini water regularly freezes. Replace 10% of your water beads with
antifreeze water beads
2) No, although it should be less of a problem with the polarizable
water model.
Peter
On 06/08/15 07:44, Khuong Truong Gia wrote:
> Hi all,
>
> I have 2 questions and I need your help:
> First, I setup 2 coarse grained simulations using insane.py and
> martini_v2.2. In my systems I put protein on the surface of membrane, the
> first system using 1 protein and the second I use 8 protein. The first
> system run normally but in the second system, water is frozen. Does anyone
> have the same issue? what can be the cause?
> Second, Is water preezing issue solved in martini v2.2 without using anti
> freezing water molecules?
>
> Thank you,
> Khuong
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