Anil Kumar wrote:
Dear Mark,
Thanks for your suggestions of including/using index file. This is fine
but is it not a cumbersome process to define for different length of
systems in this way! Since, one has to define/make the group for each
carbonyl group with other pairs!
Using index fi
Dear Mark,
Thanks for your suggestions of including/using index file. This is fine but
is it not a cumbersome process to define for different length of systems in
this way! Since, one has to define/make the group for each carbonyl group
with other pairs!
Anyway for the time being I am using this
Anil Kumar wrote:
Dear Gmx Users,
I need to calculate the H-Bonds of simulation trajectory with specification
of i to i+2/3/4/5 so on..and i to i -2/3/4/5 so on...separately.
Do anyone have any idea how to do this...since the present option g_hbond
calculate both the hydrogen bonds together irr
Dear Gmx Users,
I need to calculate the H-Bonds of simulation trajectory with specification
of i to i+2/3/4/5 so on..and i to i -2/3/4/5 so on...separately.
Do anyone have any idea how to do this...since the present option g_hbond
calculate both the hydrogen bonds together irrespective of i to i+
4 matches
Mail list logo
