Or, can you wait a while before you turn on the field?
So far, I know that people can do npt after nvt.
Can you run simulation without field, then, with field?
Just have to count the delays.
There might be some truncation effect tough if you turn on the field
suddenly.
On Wed, Aug 27, 2014
Thanks for your reply Johnny Lu. That is a very good point. But I have not
seen any sin Electric field. Can gromacs generate sin Electric fields too?
On Tue, Aug 26, 2014 at 8:33 PM, Johnny Lu johnny.lu...@gmail.com wrote:
I wonder if gromacs can do both sine and cosine?
If so, the sum angle
I wonder if gromacs can do both sine and cosine?
If so, the sum angle formula can work.
http://en.wikipedia.org/wiki/List_of_trigonometric_identities#Angle_sum_and_difference_identities
On Sat, Aug 23, 2014 at 10:42 AM, steven shawn shawnstev...@gmail.com
wrote:
Dear gromacs users, I am
Dear gromacs users, I am trying to use an electric field which is varying
with time. I read the previous posts and successfully generated time
varying electric field with E-xt, E-yt and E-zt.
but I need an electric field which has an initial phase term (ie. of the
form E= E0cos(2*pi*f*t+some
