Hey Thomas,
could you elaborate on the "bymol" flag? E.g. the given example of
selecting molecules when you got > 9999 waters? Is there an easy
workaround for the ID rolling?
Regards,
Daniel
Am 01.07.13 21:38, schrieb Thomas Holder:
> Matthew Baumgartner wrote, On 07/01/13 21:34:
>> I removed the byres command because I have more then 10000 water
>> molecules in my system and the residue ID's were rolling over and waters
>> far from the residue of interest were being selected.
>> If anyone has a suggestion on this, please let me know, I would like to
>> select whole water molecules for making figures.
> use "bymol".
>
> Cheers,
> Thomas
>
--
Daniel Mann, M.Sc.
Department of Biophysics
Ruhr-University Bochum
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