[gmx-users] Metal interactions with proteins
jalemkul at vt.edu
Mon Nov 20 17:14:37 CET 2017
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
>> 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 A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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