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Queries regarding martini polarizable water
- sourav
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7 years 10 months ago #5577
by sourav
Queries regarding martini polarizable water was created by sourav
Hello
It would be really helpful if anyone here could answer my queries.
1. Is there any parameter file in CHARMM format for polarizable water? I created the topology file following the syntax of TIP3P water. I will use the GROMOS option in NAMD if there isn't any other option.
2. Is it usually necessary to use anti-freeze in simulations with polarizable water (as we do for normal single bead water)?
Thanks and regards
Sourav
It would be really helpful if anyone here could answer my queries.
1. Is there any parameter file in CHARMM format for polarizable water? I created the topology file following the syntax of TIP3P water. I will use the GROMOS option in NAMD if there isn't any other option.
2. Is it usually necessary to use anti-freeze in simulations with polarizable water (as we do for normal single bead water)?
Thanks and regards
Sourav
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- sourav
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7 years 10 months ago #5578
by sourav
Replied by sourav on topic Queries regarding martini polarizable water
Also, what would be the interaction parameters between anti-freeze beads and polarizable water molecule?
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- flaviyan
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7 years 10 months ago #5581
by flaviyan
Replied by flaviyan on topic Queries regarding martini polarizable water
Never heard of antifreeze water with polarizeable water
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- sourav
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7 years 10 months ago #5582
by sourav
Replied by sourav on topic Queries regarding martini polarizable water
True, I checked the parameter files and found the same. Thanks!
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