normal Queries regarding martini polarizable water

  • sourav
  • sourav's Avatar Topic Author
  • Offline
  • Fresh Boarder
More
7 years 10 months ago #5577 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

Please Log in or Create an account to join the conversation.

  • sourav
  • sourav's Avatar Topic Author
  • Offline
  • Fresh Boarder
More
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?

Please Log in or Create an account to join the conversation.

More
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

Please Log in or Create an account to join the conversation.

  • sourav
  • sourav's Avatar Topic Author
  • Offline
  • Fresh Boarder
More
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!

Please Log in or Create an account to join the conversation.

Time to create page: 0.092 seconds