MD simulations

What would you like to see implemented in Hippo? Let the developers know. You can also use polls to have other users vote for your suggestions. Use one topic per request.
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anmj
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MD simulations

Post by anmj » Tue Aug 26, 2008 11:51 am

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.

martin
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Re: MD simulations

Post by martin » Fri Aug 29, 2008 7:58 am

You can run normal MD (mode = MD simulation), the generalized Born membrane will be available in MD mode soon - needs some minor debugging... ;)

kaihsu
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Re: MD simulations

Post by kaihsu » Fri Nov 14, 2008 11:32 am

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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