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charmm with Berger lipid force field
#36382 05/25/17 03:28 PM
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Hi All,
I have performed molecular dynamics simulation of lipid bilayer DMPC and DOPC by using charmm36 force field. I would like to perform molecular dynamics simulations of DMPC and DOPC by using Berger lipid force field. Is it possible to run charmm with Berger lipid force field.

Your help will be highly appreciated.
MD

Re: charmm with Berger lipid force field
DIXIT123 #36462 06/24/17 06:12 PM
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I'm not aware of anyone running the Berger force field in CHARMM. However, it should be straight forward to set up the force field in CHARMM. Be sure to use the correct combining rules for the LJ term.

alex


School of Pharmacy
University of Maryland
20 Penn Street
Baltimore, MD, 21201
Re: charmm with Berger lipid force field
DIXIT123 #36470 06/29/17 05:53 PM
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Thanks a lot for your answer.
Can I set berger lipid force field for lipid bilayer inside CHARMM software?
If yes, can you give me the details. It will be great help for me.

Dixit

Re: charmm with Berger lipid force field
DIXIT123 #36471 06/29/17 06:32 PM
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rmv Online Content
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If you wish to use other force fields in CHARMM, it is up to you to create the required RTF and PARAM files in CHARMM format, and to make sure the results are energetically and structurally equivalent to the original implementation. It is a non-trivial effort.


Rick Venable
computational chemist


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