Dcd use istart information #1768
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A DCD has two byte positions to store the length of the remark section. First a it reads number of bytes in the remark plus 4. Afterwards it has the number of 80 character sections. These two numbers have to match. So far we wrote first that we use 164 chars and three 80 character blocks, 164 != 80*3 + 4 Now we corrected that and state correctly we write 244 bytes in the remark section. We never noticed that because our reader ignores the information about the byte length on looks only at the number of blocks. As a side note here. DCD remarks always have have to be a multiple of 80 in length.
Programs who use DCD have different conventions for istart, the starting frame of the trajectory. Because of this we now allow it to be set by the user.
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Fixes #
Changes made in this Pull Request:
istartinformation stored in the dcd. This means we don't report the correct timestep in the dcd. This PR tries to fix this. It's also made on top of fix header length in dcd #1767 .PR Checklist