[gmx-users] Error on Box Length when adding ions (gromacs 4.5.3/Charmm27/Tip3p)
xrules at live.com
Wed Nov 17 18:22:53 CET 2010
I am having problems with grompp with my system.
I am using Gromacs 4.5.3
FF = Charmm27 beta
WT = TIP3P (recommended and its claimed its not too different than Charmms TIP3P)
during minimization with pbc, I get the error about box length being small if I add neutralizing ions (I do not get this error in just water+protein system).
Also I have tried increasing my box length upto a cube of 40 Angstroms and still get the error ( I have a tiny 50 residue protein).
IS IT A BUG or I am doing something wrong.
I can add more information if needed.
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