<div dir="ltr">Hi,<br><br>OK that could well be right :-( Looks like a job for sed, then! (for now)<div><br></div><div>Mark</div></div><br><div class="gmail_quote">On Wed, May 6, 2015 at 10:53 PM Alexey Shvetsov <<a href="mailto:alexxy@omrb.pnpi.spb.ru">alexxy@omrb.pnpi.spb.ru</a>> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi!<br>
<br>
Mark Abraham писал 06-05-2015 23:28:<br>
> Hi,<br>
><br>
> Some things might be, I seem to recall. But there's lots of different<br>
> kinds of fields, so best would be to try it out. If it can't be<br>
> matched...<br>
<br>
It seems to be case insensetive =\ As well as for rtp block names.<br>
<br>
From amber99sb+glycam additions (whic mostly uses atom names like this<br>
Os Oh etc)<br>
<br>
C OS 1 0.1323 376560.0 ; new99<br>
C Os 1 0.1323 376812 ; Parm99<br>
<br>
grompp thinks that there are redefined params<br>
<br>
<br>
<br>
WARNING 1 [file ffbonded.itp, line 120]:<br>
Overriding Bond parameters.<br>
<br>
old: 0.1323 376560 0.1323<br>
376560<br>
new: C Os 1 0.1323 376812<br>
<br>
<br>
PS same for rtp block names (glycam for example have ~2700 blocks)<br>
<br>
><br>
> Mark<br>
><br>
> On Wed, May 6, 2015 at 10:21 PM Alexey Shvetsov<br>
> <<a href="mailto:alexxy@omrb.pnpi.spb.ru" target="_blank">alexxy@omrb.pnpi.spb.ru</a>> wrote:<br>
><br>
>> Hi all!<br>
>><br>
>> Are atomnames in forcefields case sensetive?<br>
>><br>
>> --<br>
>> Best Regards,<br>
>> Alexey 'Alexxy' Shvetsov, PhD<br>
>> Department of Molecular and Radiation Biophysics<br>
>> FSBI Petersburg Nuclear Physics Institute, NRC Kurchatov Institute,<br>
>> Leningrad region, Gatchina, Russia<br>
>> mailto:<a href="mailto:alexxyum@gmail.com" target="_blank">alexxyum@gmail.com</a><br>
>> mailto:<a href="mailto:alexxy@omrb.pnpi.spb.ru" target="_blank">alexxy@omrb.pnpi.spb.ru</a><br>
>> --<br>
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>> before posting!<br>
>><br>
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<br>
--<br>
Best Regards,<br>
Alexey 'Alexxy' Shvetsov, PhD<br>
Department of Molecular and Radiation Biophysics<br>
FSBI Petersburg Nuclear Physics Institute, NRC Kurchatov Institute,<br>
Leningrad region, Gatchina, Russia<br>
mailto:<a href="mailto:alexxyum@gmail.com" target="_blank">alexxyum@gmail.com</a><br>
mailto:<a href="mailto:alexxy@omrb.pnpi.spb.ru" target="_blank">alexxy@omrb.pnpi.spb.ru</a><br>
</blockquote></div>