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On 28/11/2011 10:40 PM, yp sun wrote:
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<div>Dear professor,</div>
<div> </div>
<div>Is there any simple way to resolve my problem?
Thanks!<br>
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<br>
Yes. If you've read the first link I suggested then you will have
some leads for solving your problem. If they don't help you, then
you will need to follow the advice in my second link before anyone
here can begin help you.<br>
<br>
Mark<br>
<br>
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<div><br>
Yeping Sun<br>
CAS Key Laboratory of Pathogenic Microbiology &
Immunology<br>
INSTITUTE OF MICROBIOLOGY CHINESE ACADEMY OF SCIENCES <br>
NO.1 Beichen West Road,Chaoyang District,Beijing
100101,china<br>
<br>
--- <b>11年11月28日,周一, Mark Abraham <i><a class="moz-txt-link-rfc2396E" href="mailto:Mark.Abraham@anu.edu.au"><Mark.Abraham@anu.edu.au></a></i></b>
写道:<br>
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发件人: Mark Abraham <a class="moz-txt-link-rfc2396E" href="mailto:Mark.Abraham@anu.edu.au"><Mark.Abraham@anu.edu.au></a><br>
主题: Re: [gmx-users] Atom not found in residue while
adding hydrogens<br>
收件人: "Discussion list for GROMACS users"
<a class="moz-txt-link-rfc2396E" href="mailto:gmx-users@gromacs.org"><gmx-users@gromacs.org></a><br>
日期: 2011年11月28日,周一,下午7:25<br>
<br>
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<div>On 28/11/2011 10:13 PM, yp sun wrote:
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<div>Dear Sir,</div>
<div> </div>
<div>When I run pdb2gmx, I encounter the
following error information: </div>
<div><br>
Program pdb2gmx, VERSION 3.3.1<br>
Source code file: genhydro.c, line: 304<br>
Fatal <span class="yiv1525869931t_tag">error</span>:<br>
Atom CB not found in residue ASP223
while adding hydrogens<br>
<br>
What should I do?</div>
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<br>
Probably update to a much faster GROMACS version,
check out <a moz-do-not-send="true"
class="yiv1525869931moz-txt-link-freetext"
href="http://www.gromacs.org/Documentation/Errors#Atom_X_in_residue_YYY_not_found_in_rtp_entry"
rel="nofollow" target="_blank">http://www.gromacs.org/Documentation/Errors#Atom_X_in_residue_YYY_not_found_in_rtp_entry</a>,
and follow the guidelines here for making posts <a
moz-do-not-send="true"
href="http://www.gromacs.org/Support"
rel="nofollow" target="_blank">http://www.gromacs.org/Support</a>
:-)<br>
<br>
Mark<br>
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<br>
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