On Wed, May 05, 2021, Ayesha Fatima wrote:
>i have a gromacs topology and .gro file that I want to convert into amber
>however, using several scripts and suggestion on the internet, ....
>i also tried with gromber but no luck. first the preprocessors (define
>[DEFINE=VAR]) could not be defined as I am not sure what to write for the
>variable. now gromber is not recognised at all.
Can you say what you tried (exactly), and what the result was? Just saying
"no luck", or "gromber was not reconized at all" does not provide much
information. Please copy and paste exactly what commands you tried, and
what the resulting error message was.
Do you know the installation prefix ($PREFIX) for your gromacs installation?
You may not need to make any defines: the default values will often work,
assuming that you have "gmx" in your PATH. (Type "which gmx" to find out.)
...hope this helps...dac
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Received on Wed May 05 2021 - 05:30:06 PDT
