Dear Mark,
Once again I am very thankful to you for your reply, I
have extracted box vectors from .XTC file by using g_traj with -ob
option with this I was able to get only six vector components viz XX
YY ZZ YX ZX and ZY only how about remaining three vector components
XY XZ a
On 16/08/2012 3:22 PM, ramesh cheerla wrote:
Dear Mark,
Thank you for your reply, as you suggested I will go
through the sec 7.4 and 8 of the manual and moreover how would I get
exact box vectors XX YY ZZ XY XZ YX YZ ZX ZY for each frame of
trajectory in gromacs
They're in the
Dear Mark,
Thank you for your reply, as you suggested I will go
through the sec 7.4 and 8 of the manual and moreover how would I get
exact box vectors XX YY ZZ XY XZ YX YZ ZX ZY for each frame of
trajectory in gromacs
As I am new to gromacs I have no Idea where these will be stored
On 16/08/2012 5:46 AM, ramesh cheerla wrote:
Dear Gromacs users,
I am using gromacs for simulations of a polymer, for that I
am planing to see how lattice parameters a , b & c are varying
during simulation. Here lattice parameter "a" is the length of unit
cell along X- direction, "
Dear Gromacs users,
I am using gromacs for simulations of a polymer, for that I
am planing to see how lattice parameters a , b & c are varying
during simulation. Here lattice parameter "a" is the length of unit
cell along X- direction, "b" is the length of the unit cell along
"Y" axis
5 matches
Mail list logo
