Hi Justin, Thank you for your reply, but i am still a little confused. You said in principal I should be able to extract a potential of mean force from an AFM run by simply integrating the average force along the reaction coordinate and if I have the average force as a function of position, I could simply integrate that to get the PMF. However, actually, i don't know how i can get the average force as a function of position and apply them in the PMF calculation. Could you give me some suggestion?
Thanks a lot. Huifang -- Huifang Liu (Ph.D. Student) School of Pharmacy Fudan University 138 Yi Xue Yuan Rd. Tel: (86-21)54237419 (O) Shanghai, China, 200032 Cell phone: +86-13764669357 E-mail: huifangliu1...@gmail.com Fax: (86-21)54237264
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
