Re: [gmx-users] About BoxVector and APL

2012-11-02 Thread Justin Lemkul
On 11/1/12 11:20 PM, vidhya sankar wrote: As uou Told me in the Previous Mail I have Given My sereis of Commands With Real file Names ./pdb2gmx_d -f 2KDQ.pdb -o 2KDQ.gro -ignh -ter -water spc ./editconf_d -f 2KDQ.gro -o 2KDQ_newbox.gro -box 6 6 6 -c ./editconf_d -f dppc128.pdb -o dppc

[gmx-users] About BoxVector and APL

2012-11-01 Thread vidhya sankar
As uou Told me in the Previous Mail I have Given My sereis of Commands With Real file Names   ./pdb2gmx_d  -f 2KDQ.pdb -o 2KDQ.gro -ignh -ter -water spc  ./editconf_d  -f 2KDQ.gro -o 2KDQ_newbox.gro -box 6 6 6  -c  ./editconf_d -f dppc128.pdb -o dppc128n.gro -center 3 3 3  -box 6 6 6  ./grompp_d