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On 30/03/2012 10:28 PM, Erik Marklund wrote:
<blockquote
cite="mid:129A1E28-ABBD-4733-BA85-C1F6B2F4BE89@xray.bmc.uu.se"
type="cite">And I replied "What's your dssp version? The most
recent ones have different flags that are not yet supported by
gromacs."
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... and I asked whether you'd read and followed the advice in
do_dssp -h. Asking for more help without appearing to have used that
you've already received doesn't show much respect for the time
people have already given. Where's their incentive to keep helping
you? :-)<br>
<br>
Mark<br>
<br>
<blockquote
cite="mid:129A1E28-ABBD-4733-BA85-C1F6B2F4BE89@xray.bmc.uu.se"
type="cite">
<div>Erik</div>
<div><br>
<div>
<div>
<div>30 mar 2012 kl. 13.23 skrev Albert:</div>
<br class="Apple-interchange-newline">
<blockquote type="cite">
<div>Hello:<br>
there is some problem for my do_dssp, it always
claimed:<br>
<br>
Program do_dssp_d, VERSION 4.5.5<br>
Source code file: do_dssp.c, line: 572<br>
Fatal error:<br>
Failed to execute command: /usr/local/bin/dssp -na
ddg1g7Id ddRwthIi > /dev/null 2> /dev/null<br>
<br>
<br>
someone suggest to compile gromacs with double precision
and I recompiled it with --enable-double<br>
but it still doesn't work.....<br>
<br>
does anybody else have any suggestions?<br>
<br>
THX<br>
-- <br>
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<div>-----------------------------------------------</div>
<div>Erik Marklund, PhD</div>
<div>Dept. of Cell and Molecular Biology, Uppsala
University.</div>
<div>Husargatan 3, Box 596, 75124 Uppsala,
Sweden</div>
<div>phone: +46 18 471 6688 fax: +46 18
511 755</div>
<div><a moz-do-not-send="true"
href="mailto:erikm@xray.bmc.uu.se">erikm@xray.bmc.uu.se</a></div>
<div><a moz-do-not-send="true"
href="http://www2.icm.uu.se/molbio/elflab/index.html">http://www2.icm.uu.se/molbio/elflab/index.html</a></div>
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