Hi,
On Tue, Aug 11, 2020 at 5:48 PM Liao <liaojunzhuo.aliyun.com> wrote:
>
> I also realize that the rst7 file (1.2MB) size is different from the one generated by tleap (1.5MB).
This makes me think that maybe you have modified the coordinates in
some way. Did you maybe strip out some atoms? If so, you need to use a
topology that corresponds with the stripped coordinates. Cpptraj will
print one if you use the 'parmout' or 'outprefix' keywords with the
'strip' command.
-Dan
>
> Am I doing something wrong, is cpptraj capable of generating rst7 files from an Amber trajectory?
>
> Please help,
> Thanks very much.
>
>
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Received on Wed Aug 12 2020 - 06:30:04 PDT
