[gmx-users] RE: grompp and box size

[Vitaly Chaban]

No problem, Prasun. :) Just open conf.gro and see the last string
there. Divide the least number by 2 and type it in the  grompp.mdp as
your new cutoff.


<The cut-off length is longer than half the shortest box vector or longer
<than the smallest box diagonal element. Increase the box size or decrease
>rvdw.

-- 
Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svoboda sq., 4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
skype: vvchaban