This is what I used. Have not tried it without the ADD_LAST NUMERIC.<br><br> &FORCES ON<br> ADD_LAST NUMERIC<br> FILENAME __STD_OUT__<br> &END FORCES<br><br><br><div><span class="gmail_quote">On 4/25/07,
<b class="gmail_sendername">Teodoro Laino</b> <<a href="mailto:teodor...@gmail.com">teodor...@gmail.com</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<br>Ciao Nichols,<br><br>If I use the following section it works:<br><br>&MOTION<br> &MD<br> ENSEMBLE NVE<br> STEPS 100<br> TIMESTEP 2.5<br> TEMPERATURE 298<br> &NOSE<br> LENGTH 3<br>
YOSHIDA 3<br> TIMECON 1000<br> MTS 2<br> &END NOSE<br> &END MD<br> &PRINT<br> &FORCES<br> FILENAME __STD_OUT__<br> &END<br> &END<br>&END MOTION<br><br>
Can we know PRECISELY how your MOTION section looks like?<br>Beware if you use FORMAT DCD (that is implicitly binary) in the<br>FORCES section of MOTION you will get for sure the error you were<br>mentioning..<br><br>Cheers
<br>Teo<br>On 25 Apr 2007, at 22:29, Nichols A. Romero wrote:<br><br>> This is a follow-up to an email that I posted yesterday and that<br>> Fawzi replied to.<br>><br>> There are two places where one can print the forces to standard out.
<br>> &FORCE_EVAL&PRINT&FORCES<br>> and<br>> &MOTION&PRINT&FORCES<br>><br>> I've only manage to get the former one to print forces to std_out.<br>> The latter<br>> one always gives some I/O error. Just FYI.
<br>><br>> --<br>> Nichols A. Romero, Ph.D.<br>> 1613 Denise Dr. Apt. D<br>> Forest Hill, MD 21050<br>> 443-567-8328 (C)<br>> 410-306-0709 (O)<br>><br>> ><br><br><br><br>