Re: tip4p on namd 2.7b

From: Guanglei Cui (amber.mail.archive_at_gmail.com)
Date: Wed Apr 22 2009 - 10:52:19 CDT

Hi Peter,

I'm interested in this as well. Will TIP4P be available for AMBER
inputs as well? A quick glimpse of the code seems to indicate it's
only available for Charmm inputs.

Regards,
Guanglei

On Tue, Apr 21, 2009 at 10:36 AM, Peter Freddolino <petefred_at_ks.uiuc.edu> wrote:
> Hi JosÚ,
> we'd been doing some final testing on it, and thus it isn't documented
> quite yet. As far as I can tell, though, it is stable and gives correct
> results. It will be documented for the 2.7 release; I can send you files
> to try it out in the meantime.
> Best,
> Peter
>
> fett_at_vtr.net wrote:
>> Dear NAMD developers:
>>
>> I would like to run simulations with the TIP4P water model, but i can┤t
>> find any documentation about it on the namd website. is there any
>> topology file and parameters?
>>
>> I thought this files would be present in the namd website because of the
>> announcement of TIP4P support in the new namd version.
>>
>> thanks for your help
>> best
>> JosÚ Antonio
>
>

-- 
Guanglei Cui

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