Gromacs' 4.5.5 do_dssp is broken. There is a patch for it in git. I haven't tried it out, so I can't say for sure it works. This is not a DSSP problem, it's a Gromacs problem. Just to reinforce the idea, the new DSSP should not be used, no matter which Gromacs version you're using.<div>
<br></div><div>Best regards,</div><div>Joao Henriques</div><div><br><br><div class="gmail_quote">On Fri, Mar 2, 2012 at 9:10 AM, lina <span dir="ltr"><<a href="mailto:lina.lastname@gmail.com">lina.lastname@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="im">On Fri, Mar 2, 2012 at 3:55 PM, Mark Abraham <<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>> wrote:<br>
> On 2/03/2012 6:52 PM, lina wrote:<br>
>><br>
>> Hi,<br>
>><br>
>> is the old dssp not compatible with the gromacs 4.5.5 ?<br>
>><br>
>> I am confused,<br>
>><br>
>> Thanks,<br>
>><br>
>> Best regards,<br>
><br>
><br>
> The new DSSP is not compatible with any GROMACS<br>
<br>
</div>Ha ... the dssp complain the segmentation fault in 4.5.5, but can run<br>
smoothly in 4.5.3.<br>
<br>
IIRC, seems there were some threads talked about that before.<br>
<div class="HOEnZb"><div class="h5"><br>
><br>
> Mark<br>
> --<br>
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</div></div></blockquote></div><br><br clear="all"><div><br></div>-- <br>Joćo Henriques<br>
</div>