problem with new version of colvars

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1

Hi users,

I ran ABF simulations of same system with 6APR13 and 1JUL13 version.

colvars.trajectories was quite different between them. simulations ran for 9 ns

I attached count files for both versions.

Thanks in advance

Karteek Kumar

1JUL13.count (827 Bytes)

6APR13.count (881 Bytes)

2

Hi users,

I ran ABF simulations of same system with 6APR13 and 1JUL13 version.

colvars.trajectories was quite different between them. simulations ran for
9 ns

I attached count files for both versions.

please report issues with colvars and the means to reproduce them here:
https://github.com/colvars/colvars/issues

the lammps interface has been significantly rewritten and simplified
between those two versions and some default settings have changed,
too. it is quite possible that something got broken in the process,
due to the scale of the change.

thanks,
    axel.

3

Hi users,

I ran ABF simulations of same system with 6APR13 and 1JUL13 version.

FYI, the bugfix by jerome is now also in LAMMPS-ICMS

axel.