problem in scaling th processed.top using partial_tempering

[Sara]

Hello Dear all,

I am trying to use plumed for running REST2 simulations for my protein. I have gotten the following error wile trying to scale processed.top by a lamda.

plumed partial_tempering 0.85 <processed.top >scaled_1.top 

ERROR: params not found 2 1 5 6 9  

I have no idea what these numbers may refer to and how can i fix this error?
my processed file is also attacted.
thank you in advance,

Yours,

Sara

[Giovanni Bussi]

Hi,

I cannot reproduce your error. The partial_tempering script is using gawk. Can you please:

- report the gawk version you have installed (with `gawk --version`)

- type `export LC_ALL=C` before executing the `plumed` command and try again.

Thanks!

Giovanni

--
You received this message because you are subscribed to the Google Groups "PLUMED users" group.
To unsubscribe from this group and stop receiving emails from it, send an email to plumed-users...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/plumed-users/4b14f7b7-0467-43bb-8b6e-062344631560n%40googlegroups.com.

[Ss Zz]

Dear Prof. Bussi,

Thank you very much for your kind and invaluable consideration. the problem raised from the grompp command and i fixes it

Thank you again

Sara

You received this message because you are subscribed to a topic in the Google Groups "PLUMED users" group.
To unsubscribe from this topic, visit https://groups.google.com/d/topic/plumed-users/CpWEzxA6dL0/unsubscribe.
To unsubscribe from this group and all its topics, send an email to plumed-users...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/plumed-users/CAPLm8ZKmt7a7H3CjBJUJufkNBNjoM1jKHE4_PBKzn6XDU4HjKw%40mail.gmail.com.

[Blue Schmitz]

Hi, how exactly did you fix the issue? I am running into the same problem and could not fix it yet. 

Thanks and kind regards,

Blue