2016-09-13 11:51 GMT-06:00 Rom :
>
> Sure, I will try to install it and see if it gets rid of the error!
> Which version of gromacs is best compatible with Votca/1.2.4? Im just
> confused why it works for one system, but not for the current system I am
> trying to run?
Sure, I will try to install it and see if it gets rid of the error!
Which version of gromacs is best compatible with Votca/1.2.4? Im just
confused why it works for one system, but not for the current system I am
trying to run?
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Hi Rom,
could please give version 1.3.1 and the latest development version a try, too?
Christoph
2016-09-13 7:13 GMT-06:00 Rom :
> Thanks Christoph!
>
> I have attached the xml file that I used (it is a very large system, and I
> tried many min/max/block values), and the