Hello,
I was wondering how to set up parameters for interactions between two
different atoms A and B. Since for Gromacs parameters are defined to each kind
of atom, I cannot specify parameters between A and B. For Buckingham potential,
the rule was:
A_ij=(A_ii * A_jj)^(1/2)
So anyone know how to specify this value while not using the combination rules?
I also have problem in installing xmgr. I use MacOSX 10.5.5. I type ./configure
and got this error messege:
ecme222-96-dhcp:xmgr-4.1.2 ssx$ ./configure
creating cache ./config.cache
checking host system type... configure: error: can not guess host type; you
must specify one
Anyone has encountered this before?
Thank you.
Shuangxing Dai
_______________________________________________
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
