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On 29/05/2011 7:29 PM, Masomeh Dehghani wrote:
<blockquote cite="mid:603108.7287.qm@web65812.mail.ac4.yahoo.com"
type="cite">
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<td style="font: inherit;" valign="top">Hi all<br>
<font><font><font style="font-size: 10pt;"><font
style="font-size: 10pt;"><font><font
style="font-size: 10pt;"><span lang="en"><span
title="Click for alternate
translations">I have inserted a new
residue (DM instead of 5CM) and changed
relative files</span></span></font></font></font></font></font></font>(dna.rtp,dna.r2b,dna.hdb,dna.arn
,residutypes.dat,defselection.dat),<br>
<font><font><font style="font-size: 10pt;"><font
style="font-size: 10pt;"><font><font
style="font-size: 10pt;"><span lang="en"><span
title="Click for alternate
translations">but I have fatal erorrs in
grompp:<br>
{erorr1:[file epo0003-DNA-chain-A.itp
,line 2322]:<br>
No default Angletypes}<br>
{erorr2:[</span></span></font></font></font></font></font></font><font><font><font
style="font-size: 10pt;"><font style="font-size:
10pt;"><font><font style="font-size: 10pt;"><span
lang="en"><span title="Click for alternate
translations">file epo0003-DNA-chain-A.itp
,line 3679</span></span></font></font></font></font></font></font><font><font><font
style="font-size: 10pt;"><font style="font-size:
10pt;"><font><font style="font-size: 10pt;"><span
lang="en"><span title="Click for alternate
translations">]:<br>
No default Improper Dih.types}<br>
</span></span></font></font></font></font></font></font><font><font><font
style="font-size: 10pt;"><font style="font-size:
10pt;"><font><font style="font-size: 10pt;"><span
lang="en"><span title="Click for alternate
translations">{erorr3:[file
epo0003-DNA-chain-B.itp ,line 2322]:<br>
No default Angletypes}<br>
{erorr4:[</span></span></font></font></font></font></font></font><font><font><font
style="font-size: 10pt;"><font style="font-size:
10pt;"><font><font style="font-size: 10pt;"><span
lang="en"><span title="Click for alternate
translations">file epo0003-DNA-chain-B.itp
,line 3679</span></span></font></font></font></font></font></font><font><font><font
style="font-size: 10pt;"><font style="font-size:
10pt;"><font><font style="font-size: 10pt;"><span
lang="en"><span title="Click for alternate
translations">]:<br>
<span style="font-family:
arial,helvetica,sans-serif;">No default
Improper Dih.types}</span></span></span></font></font></font></font></font></font><i
style="font-family: arial,helvetica,sans-serif;"><i> <br>
anyhelp is greatly appreciate!</i></i><br>
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</blockquote>
<br>
As I said last time, you need to look at those lines in your
molecule .itp file and see why they don't match the type definitions
in your forcefield .itp files.<br>
<br>
Mark<br>
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