Re: tip4p on namd 2.7b

From: Guanglei Cui (amber.mail.archive_at_gmail.com)
Date: Wed Apr 22 2009 - 16:17:57 CDT

Thanks, Peter. I'll give it a try and let you know how it goes.

Best,
Guanglei

On Wed, Apr 22, 2009 at 1:19 PM, Peter Freddolino <petefred_at_ks.uiuc.edu> wrote:
> 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 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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