Hi,
Try to convert it to a different format with cpptraj; it may be able
to give you a different error message that might provide a clue to
what could be going on.
cpptraj -p <topology file> -y <restart file> -x test.mol2
If that doesn't provide anything useful, send me the topology and
restart off-list and I'll look at it.
-Dan
On Thu, Oct 26, 2023 at 6:46 PM Xavier Wezen Chee via AMBER
<amber.ambermd.org> wrote:
>
> Dear all, I am getting this error message but i am not entirely sure why and how to fix it.
>
> --------------------------------------------------------------------------------
> 1. RESOURCE USE:
> --------------------------------------------------------------------------------
>
> | Flags:
> getting new box info from bottom of inpcrd
> | INFO: Old style inpcrd file read
>
> peek_ewald_inpcrd: SHOULD NOT BE HERE
> 190.0000 190.0000 190.0000 90.0000 90.0000 90.0000
>
> This is the last few lines of the rst7 file
> 189.0290070 191.1210022 79.3610001 188.1759949 191.1479950 79.8539963
> 188.8079987 191.7709961 78.6460037 190.8939972 190.2449951 81.1250000
> 190.2180023 190.6580048 80.5289993 191.4479980 189.8049927 80.4459991
> 191.0240021 189.3040009 78.3399963 191.5279999 189.6609955 77.5770035
> 190.3419952 189.9940033 78.4469986 194.8569946 188.6029968 81.9499969
> 194.8750000 189.5509949 82.1880035 194.8220062 188.2039948 82.8570023
> 192.5800018 190.2070007 76.1800003 193.1390076 189.5899963 75.6569977
> 193.2859955 190.7169952 76.6439972 197.0240021 192.2440033 78.1320038
> 197.4010010 191.6999969 78.8679962 196.9949951 193.1179962 78.5989990
> 190.0000000 190.0000000 190.0000000 90.0000000 90.0000000 90.0000000
>
> And i've checked that there are no empty lines after rst7.
> Any advice would be appreciated. Thanks!
>
> Regards,
> Xavier Chee
>
>
> [cid:8d84cebd-8266-44cb-9817-57ebcb153567]
>
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Received on Thu Oct 26 2023 - 18:00:02 PDT
