From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Wed Apr 22 2009 - 12:19:33 CDT
Hi Guanglei,
I'll have to look into making things work for AMBER input... I'm not as
familiar with the AMBER parser, but it should be doable. In any case,
I'll send the files you'll need to try it out with charmm inputs in the
meantime.
Best,
Peter
Guanglei Cui wrote:
> 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 José,
>> 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
>>> José Antonio
>>
>
>
>
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