<html><body><div style="color:#000; background-color:#fff; font-family:arial, helvetica, sans-serif;font-size:12pt"><div><span><br></span></div><div><span>Dear Justin,</span></div><div><span>ok. But I have to regenerate a job done sometime ago, that's why I have to use this ff. Am I supposed to use the seventeenth option?</span></div><div><br><span></span></div><div><span>Cheers,</span></div><div><span>Shima<br></span></div><div><br></div> <div style="font-family: arial, helvetica, sans-serif; font-size: 12pt;"> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div dir="ltr"> <font size="2" face="Arial"> <hr size="1"> <b><span style="font-weight:bold;">From:</span></b> Justin A. Lemkul <jalemkul@vt.edu><br> <b><span style="font-weight: bold;">To:</span></b> Discussion list for GROMACS users <gmx-users@gromacs.org> <br> <b><span style="font-weight: bold;">Sent:</span></b> Thursday, April 12, 2012
9:07 PM<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [gmx-users] Gromos87<br> </font> </div> <br>
<br><br>Marzinek, Jan wrote:<br>> <br>> <br>> ------------------------------------------------------------------------<br>> *From:* Shima Arasteh [<a ymailto="mailto:shima_arasteh2001@yahoo.com" href="mailto:shima_arasteh2001@yahoo.com">shima_arasteh2001@yahoo.com</a>]<br>> *Sent:* Thursday, April 12, 2012 4:53 PM<br>> *To:* Marzinek, Jan<br>> *Subject:* Re: [gmx-users] Gromos87<br>> <br>> Dear Jan,<br>> I downloaded the file and put it in my working space but does not appear in my force filed selections? How come?<br>> What's wrong with it?<br>> <br>> Cheers,<br>> Shima<br>> You should have downloaded not a single file but the whole force field which is a folder and the copy it to the directory you working in. As Felix mentioned it could be number:<br>> 17: [DEPRECATED] Gromacs force field (see manual)<br>> so you do not have to download it. Ensure this is a version you
need.<br>> <br><br>And please heed the warnings in the manual. This force field is derived from Gromos87 but many of its contents are not well documented. There are far better force field that one can (and should) use.<br><br>-Justin<br><br>-- ========================================<br><br>Justin A. Lemkul<br>Ph.D. Candidate<br>ICTAS Doctoral Scholar<br>MILES-IGERT Trainee<br>Department of Biochemistry<br>Virginia Tech<br>Blacksburg, VA<br>jalemkul[at]<a target="_blank" href="http://vt.edu">vt.edu</a> | (540) 231-9080<br>http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin<br><br>========================================<br>-- gmx-users mailing list <a ymailto="mailto:gmx-users@gromacs.org" href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br>http://lists.gromacs.org/mailman/listinfo/gmx-users<br>Please search the archive at <a href="http://www.gromacs.org/Support/Mailing_Lists/Search"
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