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Hi Seera<br>
<br>
As the error message is telling you, the molecule type CU1 is
defined more than once along your topology. Check it, locate the [
moleculetype ] sections and verify that CU1 is defined only once. If
that does not solve the problem, you can post you topology here so
that we can try to identify the source for the error.<br>
<br>
Javier<br>
<br>
El 21/05/12 10:55, Seera Suryanarayana escribió:
<blockquote
cite="mid:CAAr94NM_R9_FmyJKxHPHk1ebFvrW_FAxVnGChaAz9u-fTXuDog@mail.gmail.com"
type="cite">Dear all gromacs users,<br>
I tried the grompp and i got
the following error.<br>
<br>
<br>
<br>
Fatal error:<br>
moleculetype CU1 is redefined.<br>
<br>
Is there any explanation why is thid happening?<br>
<br>
I would appreciate any help. Iam new in using MD and gromac in
particular.<br>
<br>
<br>
Suryanarayana Seera,<br>
PhD student,<br>
HYderabad,<br>
India.<br>
<br>
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<br>
</blockquote>
<br>
<div class="moz-signature">-- <br>
Javier CEREZO BASTIDA<br>
PhD Student<br>
Physical Chemistry<br>
Universidad de Murcia<br>
Murcia (Spain)<br>
Tel: (+34)868887434
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