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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Received on Sun Jul 02 2017 - 14:30:04 PDT
