MD simulations

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anmj
Posts: 3
Joined: Wed Jul 23, 2008 7:20 pm

MD simulations

Post by anmj »

When will it be possible to run MD simulations in HIPPO? I would like to compare the results from MC with corresponding ones from MD.
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martin
Developer
Posts: 38
Joined: Sun Jun 15, 2008 10:27 pm

Re: MD simulations

Post by martin »

You can run normal MD (mode = MD simulation), the generalized Born membrane will be available in MD mode soon - needs some minor debugging... ;)
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kaihsu
Posts: 10
Joined: Wed Nov 12, 2008 3:23 pm
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Re: MD simulations

Post by kaihsu »

Thanks to the Ulmschneider brothers for the tool Hippo. As I said elsewhere: ‘I wonder whether it is possible to implement parallel MD with implicit membranes, and how fast would that be?’ viewtopic.php?f=13&t=18
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