AMBER Archive (2004)

Subject: Re: AMBER: ptraj

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Dear Freedman:

Your top file is fine for my ptraj to read. Maybe you need the latest
ptraj program which can be download at
http://www.chpc.utah.edu/~cheatham/software.html . Good luck!

Regards!

Liu

Holly Freedman wrote:

> Hi,
>
> I am running ptraj on a trajectory generated for CH3Cl in water and am
> getting an error when trying to read the prmtop file, which I am
> attaching.
> The error says
>
> /Read in info for bonds w/out hydrogen...
>
> ERROR in readParm: ...failed to find ANGLES_INC_HYDROGEN/
>
> Does anyone know how to get around this bug?
> Thanks in advance for your help. If anyone knows how to modify this
> prmtop so that ptraj will read it, this would be so helpful to me.
>
> --Holly Freedman
> University of Utah

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