[gmx-users] Two Types of van de Waals interactions in one system

XAvier Periole x.periole at rug.nl
Tue Dec 8 10:52:00 CET 2009


One solution would be to use tabulated potential for which the
analytical form does not matter.

On Dec 8, 2009, at 4:29 AM, Mark Abraham wrote:

> hong bingbing wrote:
>> Dear all,
>> Has anyone tried to use 2 van de Waals interaction types in one  
>> system? For example, the system includes two components A and B.  
>> The van de Waas interaction for A is LJ type, while for B  
>> Buckingham form is used. Can GROMACS support two forms  
>> simultaneously?
>
> No. How would you describe the vdW interaction between an atom from  
> A and one from B?
>
> If the reason for this question is based on a desire to mix two  
> force fields - don't.
>
> Mark
> -- 
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.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-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php




More information about the gromacs.org_gmx-users mailing list