The message says that you have atoms with the same name. Give each atom an
unique name and try running it again. If you have still trouble, try specifying
explicitly the protonation states.
Hope it helps.
Lucio.
Mensaje citado por "Justin A. Lemkul" :
>
>
> mohsen ramezanpour wrote:
> > Dear justi
mohsen ramezanpour wrote:
Dear justin
no,I had not done it.
But this two warning are not present in other my molecules,for example I
tested another molecule but the massage was:
defaults to zero instead of generating an error
PRODRG>
PRODRG>
PRODRG> Starting up
Dear justin
no,I had not done it.
But this two warning are not present in other my molecules,for example I
tested another molecule but the massage was:
defaults to zero instead of generating an error
PRODRG>
PRODRG>
PRODRG> Starting up PRODRG version 071121.0636
PRODRG>
These error messages are likely more important:
PRODRG> WARNING: multiplicity of generated molecule is not 1.
PRODRG> WARNING: bond type assignment failed at C13
There is something about the chemical structure involving this atom that PRODRG
can't handle. Based on the information you've provi
actually the final massage was :Unfortunately PRODRG crashed
On Sat, Oct 16, 2010 at 11:36 AM, mohsen ramezanpour <
ramezanpour.moh...@gmail.com> wrote:
> Dear gromacs users
>
> I have a pdb file who include protein and a drug.I separated them by pymol
> software and saved them separately.now I w
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