Brownian Dynamics input file

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1

Hi,

I would like to perform Brownian Dynmics calculations. I write a input file for a test Brownian dynamics calculation for 1000 carbon atoms at 500 K.

Could someone please check if the input file is correct for Brownian Dynamics?

Also the data.C1000 file is attached.

data.C1000 (40.2 KB)

in.C1000-BD (646 Bytes)

2

Hi,

I would like to perform Brownian Dynmics calculations. I write a input
file for a test Brownian dynamics calculation for 1000 carbon atoms at 500
K.

Could someone please check if the input file is correct for Brownian
Dynamics?

this mailing list is not an "input file validation service". ​whether an
input ​for a simulation does what you expect it to do is for you to verify
yourself. what if somebody say "yes, it looks good", but then it isn't
correct? how are you going to explain it in a publication "yes, i did the
simulation and i am not sure, but some random person told me it was OK"?

axel.