[gmx-users] make a new bond in VERSION 4.5.4
zzeppelin87 at gmail.com
Thu Jul 7 09:48:14 CEST 2011
Dear Justin, gmx users,
I putted a FF folder to the gromacs execution directory + changed
specbond.dat and it works (I have got isopeptide bond).
In old gromacs I needed only to made a local copy of all gromacs and made
changes in FF in its folders and not to copy FF folder to execution
directory (every time to each new execution directory).
Note difference. Maybe I can do somehow the same for new gromacs.
Thank you very much for help! You pay a lot of attention for my requests as
+ to specbond.dat:
*LYS* NZ 1 *GLY* C 1 0.13 LYQ GLQ
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