Re: [gmx-users] Time varying electric field - phase term
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 at 3:25 PM, steven shawn shawnstev...@gmail.com wrote: 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 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 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 angle term)) where i want to specify the angle term. Most of the posts i read mentioned this angle term must be specified in the third term after E-xt. I tried it but failed to generate an initial phase. Can anyone help me with this? thanks in advance. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Time varying electric field - phase term
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 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 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 angle term)) where i want to specify the angle term. Most of the posts i read mentioned this angle term must be specified in the third term after E-xt. I tried it but failed to generate an initial phase. Can anyone help me with this? thanks in advance. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Time varying electric field - phase term
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 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 angle term)) where i want to specify the angle term. Most of the posts i read mentioned this angle term must be specified in the third term after E-xt. I tried it but failed to generate an initial phase. Can anyone help me with this? thanks in advance. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] Time varying electric field - phase term
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 angle term)) where i want to specify the angle term. Most of the posts i read mentioned this angle term must be specified in the third term after E-xt. I tried it but failed to generate an initial phase. Can anyone help me with this? thanks in advance. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
