[gmx-users] Fwd: Issues using tabulated potentials for coarse-grained simulation

[Tamisra Pal]

Hi Brian :

I am also having a similar kind of issue in running a simulation of CG
model
Ionic liquid molecules having tabulated 9-6 LJ potential . Surprisingly , I
find that the density steadily increasing even after 30 ns , and the box
length consequently decreasing . Though the temperature , pressure are OK .
In my case I have used tc-grps = system .

Can you tell me how to resolve this issue ? Are there any other techniques
 without using separate temperature couplings for group molecules?

Thanks

Tamisra

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Tamisra Pal

Post Doctoral Research Fellow
Technische Universität Darmstadt
Institut für Festkörperphysik
Hochschulstraße 6
64289 Darmstadt , Germany