摘要：6.3 Using Accelerated Molecular Dynamics (aMD) to enhance sampling 英文官网：http://ambermd.org/tutorials/advanced/tutorial22/index.php 另外可参考 https://blog. 阅读全文

摘要：NVT出现水分子空洞，以及NPT时盒子收缩的原理： For a periodic system, constant pressure is the only way to equilibrate density if the starting state isnot correct. For exa 阅读全文