Re: [gmx-users] fudgeLJ / fudgeQQ are multiplicative factors

2006-05-02 Thread David van der Spoel

[EMAIL PROTECTED] wrote:

Perhaps someone can add this to the next update of the manual (on page 101?)

Without going to Jorgensen's 1988 JACS paper it is difficult to be sure that
fudge means multiply and not divide, especially given the most common usage of
the word "factor" and that e.g. Berger Biophys. J. 1997 indicates "the LJ
contribution was reduced by a factor of 8"

Thanks for the message, I just modified it.



___
gmx-users mailing listgmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to [EMAIL PROTECTED]

Can't post? Read http://www.gromacs.org/mailing_lists/users.php



--
David.

David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  75124 Uppsala, Sweden
phone:  46 18 471 4205  fax: 46 18 511 755
[EMAIL PROTECTED]   [EMAIL PROTECTED]   http://folding.bmc.uu.se

___
gmx-users mailing listgmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to [EMAIL PROTECTED]

Can't post? Read http://www.gromacs.org/mailing_lists/users.php


[gmx-users] fudgeLJ / fudgeQQ are multiplicative factors

2006-05-01 Thread chris . neale
Perhaps someone can add this to the next update of the manual (on page 101?)

Without going to Jorgensen's 1988 JACS paper it is difficult to be sure that
fudge means multiply and not divide, especially given the most common usage of
the word "factor" and that e.g. Berger Biophys. J. 1997 indicates "the LJ
contribution was reduced by a factor of 8"

___
gmx-users mailing listgmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php