[gmx-users] Minimization of a box of capped tryptophan (trp)
OZENGIN at KU.EDU.TR
Sat Aug 25 17:02:43 CEST 2007
As you suggest David I used genconf command without -rot option. I minimized a single capped trp molecule and got the minimized molecule and used that molecule with genconf command in order to create a box.
> Then, I solvated capped trp molecule within the created box with genbox command. I wanted the box to have a total of 200 capped trp molecules. In this respect, I used -maxsol 200 option. However, the resultant system had only 11 capped trp molecules.
>What may be the problem?
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