[gmx-users] Metal interactions with proteins

[Justin Lemkul]

On 11/20/17 11:13 AM, Justin Lemkul wrote:
>
>
> On 11/20/17 11:05 AM, RAHUL SURESH wrote:
>> Dear Justin
>>
>> Sorry for the inconvenience. Tried every possible way and couldn't 
>> find any
>> proper way to add datas into merged.rtp. As you have suggested, Yes i 
>> have
>> made some incorrect format entry.
>> Can you please guide me to make a valid entry in rtp file? Which one 
>> is the
>> right format. I have searched web over the best of my knowledge and
>> couldn't find any valuable ideas.
>
And, of course, typing too quickly, per usual :) The correct form is:

[ CU ]
[ atoms ]
  CU  CU  2.000 0

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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jalemkul at vt.edu | (540) 231-3129
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