Re: [gmx-users] Difference in hydrogen bond lifetimes with and without pbc

[Erik Marklund]

Dear Apramita,

What version are you using? There might have been some PBC-related bugs that 
were fixed if memory serves me right.

Kind regards
Erik
__
Erik Marklund, PhD, Marie Skłodowska Curie INCA Fellow
Department of Chemistry – BMC, Uppsala University
+46 (0)18 471 4539
erik.markl...@kemi.uu.se

On 29 Aug 2017, at 15:26, Apramita Chand 
> wrote:

Dear Eric and other Gromacs users,
Thanks for clarifying about how different timescale of trajectories can
affect lifetimes
But the case with and without pbc have same length of trajectories (100 ns).
Then why the difference in lifetimes ( 1793ps with pbc and 2345 without pbc)
Which can be regarded as more accurate?

Yours sincerely,
Apramita
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Re: [gmx-users] Difference in hydrogen bond lifetimes with and without pbc

[Apramita Chand]

Dear Eric and other Gromacs users,
Thanks for clarifying about how different timescale of trajectories can
affect lifetimes
But the case with and without pbc have same length of trajectories (100 ns).
Then why the difference in lifetimes ( 1793ps with pbc and 2345 without pbc)
Which can be regarded as more accurate?

Yours sincerely,
Apramita
-- 
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