[gmx-users] force=nan in frame 0

[Yang Ye]

how do you turn off the interactions? e.g. setting rvdw=0 doesn't mean 
turning of vdw interactions.

Regards,
Yang Ye

On 11/13/2007 12:55 AM, dongsheng zhang wrote:
> Dear Mark,
>
> The installation works for other systems. The error happens in either EM or
> MD. When I turn off all interaction potentials, the forces between all
> particles should be zero, shouldn't they? Could you please tell me why the
> initial forces are NaN? Thanks!
>
> All the best!
>
> Dongsheng
>
> -----Original Message-----
> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org]
> On Behalf Of Mark Abraham
> Sent: Sunday, November 11, 2007 9:04 AM
> To: Discussion list for GROMACS users
> Subject: Re: [gmx-users] force=nan in frame 0
>
>
> dongsheng zhang wrote:
>   
>> Dear Mark,
>>
>> Thank you for your reply. I have used gromacs before. In fact, I have 
>> built this FF before, and using it successfully. My old computer was 
>> crashed, so I need to do it again. The potential energies looked fine 
>> in the md.log. Even I turn off all potentials. I still get the initial 
>> foce = nan. Could you please give me any suggest about it?
>>     
>
> Can't tell. You still haven't told us what you were trying to do when it 
> crashed. EM, MD? Did you minimize and/or equilibrate? Does this 
> installation run other systems?
>
> Mark
> _______________________________________________
> gmx-users mailing list    gmx-users at 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-request at gromacs.org. Can't post? Read
> http://www.gromacs.org/mailing_lists/users.php
>
> _______________________________________________
> gmx-users mailing list    gmx-users at 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-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>
>
>