i read the paper who working on similar protein that consis of heme -----02
then i contact to that person he send me this
On Sun, Jul 2, 2017 at 5:20 PM, Rana Rehan Khalid <rrkhalid.umich.edu>
wrote:
> Ross i am trying to load the prepin file in xleap i choose the file from
> leap tutorial sin.prepin
>
> loadamberprep sin.prepin
> it give
> loading ./sin.prepin
> then i
> list
> it only show
> SIN
> no other content of file load is it the problem of xleap?? that it not
> loading the file
>
>
> On Sun, Jul 2, 2017 at 4:55 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
>
>> Use an atom name from the atom names in your molecule. Evidently 'FE'
>> isn't among them.
>>
>> Bill
>>
>>
>> On 7/2/17 1:53 PM, Rana Rehan Khalid wrote:
>> > hello everyone i have prep file for heme when i try to produce the
>> parm
>> > file from heme prep file with this command
>> >
>> > parmchk -i argn.in -f prepi -o sin.frcmod
>> >
>> > this error come
>> >
>> > FE in the LOOP section is not a valid atom name
>> >
>> > kindly guide what can i do. thanks
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>>
>>
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>
>
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Received on Sun Jul 02 2017 - 14:30:04 PDT
