[gmx-users] Minimization of a box of capped tryptophan (trp)

OZGE ENGIN OZENGIN at KU.EDU.TR
Sat Aug 25 17:02:43 CEST 2007


Hi all, 

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?

Thanks

Oz.





More information about the gromacs.org_gmx-users mailing list