Simulation with Hydrogen bond (using Dreiding force field)

Thank you for your quick reply.

Actually I have used TIP3P water model with a long-range Coulombic solver and looking for Clathrate Hydrates.
But there was no hydrogen bonding in the hydrate cage(when I have seen the trajectory file in vmd).
Then I decided to use dreiding force field and facing too many problems, please send me one example (input script) where dreiding force field is used.

thank you again,

sincerely yours

sukanta.

Thank you for your quick reply.

Actually I have used TIP3P water model with a long-range Coulombic solver
and looking for Clathrate Hydrates.
But there was no hydrogen bonding in the hydrate cage(when I have seen the
trajectory file in vmd).

what tells you that they have to be there?
are you sure that your parameters were correct?

Then I decided to use dreiding force field and facing too many problems,

just changing force fields randomly because you
don't see what you want to see, is bad. unless you
understand exactly what is happening, you'll never
know whether you did get your result for the right
or the wrong reasons.

please send me one example (input script) where dreiding force field is
used.

i don't have any. i'd love to have input examples using the
dreiding hbond pair styles myself, so that i can validate
the OpenMP multi-threaded versions of them better.

axel.

please send me one example (input script) where dreiding force field is
used.

i don't have any. i'd love to have input examples using the
dreiding hbond pair styles myself, so that i can validate
the OpenMP multi-threaded versions of them better.

Maybe Tod has a simple example he can send/post.

Steve